4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-3-methoxyfuro[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-methylindole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide

C115H123N13O35S10 — CID 159720467

IUPAC4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-3-methoxyfuro[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-methylindole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide
SMILESCOc1c(C(=O)NCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)oc2ncccc12.Cn1c(C(=O)NCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc2ccccc21.O=C(NCCSc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1cc2ccccc2o1.O=C(NCCSc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1cc2ccccc2s1.O=C(NCCSc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C24H27N3O7S.C23H25N3O9S.C23H24N2O7S2.C23H24N2O6S3.C22H23N3O6S3/c1-27-20-5-3-2-4-17(20)16-21(27)22(28)25-12-15-34-18-6-8-19(9-7-18)35(31,32)24(23(29)26-30)10-13-33-14-11-24;1-32-18-17-3-2-10-25-21(17)35-19(18)20(27)24-11-14-34-15-4-6-16(7-5-15)36(30,31)23(22(28)26-29)8-12-33-13-9-23;26-21(20-15-16-3-1-2-4-19(16)32-20)24-11-14-33-17-5-7-18(8-6-17)34(29,30)23(22(27)25-28)9-12-31-13-10-23;26-21(20-15-16-3-1-2-4-19(16)33-20)24-11-14-32-17-5-7-18(8-6-17)34(29,30)23(22(27)25-28)9-12-31-13-10-23;26-19(20-24-17-3-1-2-4-18(17)33-20)23-11-14-32-15-5-7-16(8-6-15)34(29,30)22(21(27)25-28)9-12-31-13-10-22/h2-9,16,30H,10-15H2,1H3,(H,25,28)(H,26,29);2-7,10,29H,8-9,11-14H2,1H3,(H,24,27)(H,26,28);2*1-8,15,28H,9-14H2,(H,24,26)(H,25,27);1-8,28H,9-14H2,(H,23,26)(H,25,27)
InChIKeyMZYURRRJBCTQAT-UHFFFAOYSA-N
MW2567.97 g/mol
LogP11.97
Rot. Bonds41

About 4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-3-methoxyfuro[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-methylindole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide

4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-3-methoxyfuro[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-methylindole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 159720467) has the molecular formula C115H123N13O35S10 and a molecular weight of 2567.97 g/mol. Its IUPAC name is 4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-3-methoxyfuro[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-methylindole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-3-methoxyfuro[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-methylindole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide
PubChem CID159720467
Molecular FormulaC115H123N13O35S10
Molecular Weight2567.97 g/mol
Exact Mass2565.55
IUPAC Name4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-3-methoxyfuro[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-methylindole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide
SMILESCOc1c(C(=O)NCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)oc2ncccc12.Cn1c(C(=O)NCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc2ccccc21.O=C(NCCSc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1cc2ccccc2o1.O=C(NCCSc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1cc2ccccc2s1.O=C(NCCSc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C24H27N3O7S.C23H25N3O9S.C23H24N2O7S2.C23H24N2O6S3.C22H23N3O6S3/c1-27-20-5-3-2-4-17(20)16-21(27)22(28)25-12-15-34-18-6-8-19(9-7-18)35(31,32)24(23(29)26-30)10-13-33-14-11-24;1-32-18-17-3-2-10-25-21(17)35-19(18)20(27)24-11-14-34-15-4-6-16(7-5-15)36(30,31)23(22(28)26-29)8-12-33-13-9-23;26-21(20-15-16-3-1-2-4-19(16)32-20)24-11-14-33-17-5-7-18(8-6-17)34(29,30)23(22(27)25-28)9-12-31-13-10-23;26-21(20-15-16-3-1-2-4-19(16)33-20)24-11-14-32-17-5-7-18(8-6-17)34(29,30)23(22(27)25-28)9-12-31-13-10-23;26-19(20-24-17-3-1-2-4-18(17)33-20)23-11-14-32-15-5-7-16(8-6-15)34(29,30)22(21(27)25-28)9-12-31-13-10-22/h2-9,16,30H,10-15H2,1H3,(H,25,28)(H,26,29);2-7,10,29H,8-9,11-14H2,1H3,(H,24,27)(H,26,28);2*1-8,15,28H,9-14H2,(H,24,26)(H,25,27);1-8,28H,9-14H2,(H,23,26)(H,25,27)
InChIKeyMZYURRRJBCTQAT-UHFFFAOYSA-N
XLogP11.97
TPSA693.68 Ų
H-Bond Donors15
H-Bond Acceptors43
Rotatable Bonds41
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002567.97
LogP ≤ 511.97
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-3-methoxyfuro[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-methylindole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-3-methoxyfuro[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-methylindole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of 4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-3-methoxyfuro[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-methylindole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide (CID 159720467) is 4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-3-methoxyfuro[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-methylindole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for 4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-3-methoxyfuro[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-methylindole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for 4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-3-methoxyfuro[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-methylindole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide is COc1c(C(=O)NCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)oc2ncccc12.Cn1c(C(=O)NCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc2ccccc21.O=C(NCCSc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1cc2ccccc2o1.O=C(NCCSc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1cc2ccccc2s1.O=C(NCCSc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1nc2ccccc2s1.
What is the InChIKey of 4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-3-methoxyfuro[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-methylindole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is MZYURRRJBCTQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O7S.C23H25N3O9S.C23H24N2O7S2.C23H24N2O6S3.C22H23N3O6S3/c1-27-20-5-3-2-4-17(20)16-21(27)22(28)25-12-15-34-18-6-8-19(9-7-18)35(31,32)24(23(29)26-30)10-13-33-14-11-24;1-32-18-17-3-2-10-25-21(17)35-19(18)20(27)24-11-14-34-15-4-6-16(7-5-15)36(30,31)23(22(28)26-29)8-12-33-13-9-23;26-21(20-15-16-3-1-2-4-19(16)32-20)24-11-14-33-17-5-7-18(8-6-17)34(29,30)23(22(27)25-28)9-12-31-13-10-23;26-21(20-15-16-3-1-2-4-19(16)33-20)24-11-14-32-17-5-7-18(8-6-17)34(29,30)23(22(27)25-28)9-12-31-13-10-23;26-19(20-24-17-3-1-2-4-18(17)33-20)23-11-14-32-15-5-7-16(8-6-15)34(29,30)22(21(27)25-28)9-12-31-13-10-22/h2-9,16,30H,10-15H2,1H3,(H,25,28)(H,26,29);2-7,10,29H,8-9,11-14H2,1H3,(H,24,27)(H,26,28);2*1-8,15,28H,9-14H2,(H,24,26)(H,25,27);1-8,28H,9-14H2,(H,23,26)(H,25,27).
What are the key properties of 4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-3-methoxyfuro[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-methylindole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide?
4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-3-methoxyfuro[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-methylindole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 2567.97 g/mol, XLogP of 11.97, 41 rotatable bonds, 15 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-3-methoxyfuro[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-methylindole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 159720467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).