N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide

C127H144N24O22S6 — CID 160922344

IUPACN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
SMILESCC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(-c3nnnn3-c3ccccc3)cc2)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(-c3nnnn3C)cc2)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)ccc2oc(=O)ccc12.Cc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1NS(=O)(=O)C(C)C.Cc1ccccc1-c1cnc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)cn1
InChIInChI=1S/C23H22N6O3S.C23H31N3O4S.C22H29N3O4S.C21H22N4O3S.C20H20N2O5S.C18H20N6O3S/c1-16(2)33(31,32)26-20-14-10-18(11-15-20)23(30)24-19-12-8-17(9-13-19)22-25-27-28-29(22)21-6-4-3-5-7-21;1-15(2)31(28,29)25-22-11-6-19(12-16(22)3)23(27)24-20-7-9-21(10-8-20)26-13-17(4)30-18(5)14-26;1-15(2)30(27,28)24-20-7-5-18(6-8-20)22(26)23-19-9-11-21(12-10-19)25-13-16(3)29-17(4)14-25;1-14(2)29(27,28)25-17-10-8-16(9-11-17)21(26)24-20-13-22-19(12-23-20)18-7-5-4-6-15(18)3;1-12(2)28(25,26)22-15-6-4-14(5-7-15)20(24)21-17-9-10-18-16(13(17)3)8-11-19(23)27-18;1-12(2)28(26,27)21-16-10-6-14(7-11-16)18(25)19-15-8-4-13(5-9-15)17-20-22-23-24(17)3/h3-16,26H,1-2H3,(H,24,30);6-12,15,17-18,25H,13-14H2,1-5H3,(H,24,27);5-12,15-17,24H,13-14H2,1-4H3,(H,23,26);4-14,25H,1-3H3,(H,23,24,26);4-12,22H,1-3H3,(H,21,24);4-12,21H,1-3H3,(H,19,25)/t;17-,18+;16-,17+;;;
InChIKeySSERHYMQWPNLJF-HSNGSVMLSA-N
MW2551.10 g/mol
LogP21.08
Rot. Bonds36

About N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide

N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide (PubChem CID 160922344) has the molecular formula C127H144N24O22S6 and a molecular weight of 2551.10 g/mol. Its IUPAC name is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
PubChem CID160922344
Molecular FormulaC127H144N24O22S6
Molecular Weight2551.10 g/mol
Exact Mass2548.92
IUPAC NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
SMILESCC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(-c3nnnn3-c3ccccc3)cc2)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(-c3nnnn3C)cc2)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)ccc2oc(=O)ccc12.Cc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1NS(=O)(=O)C(C)C.Cc1ccccc1-c1cnc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)cn1
InChIInChI=1S/C23H22N6O3S.C23H31N3O4S.C22H29N3O4S.C21H22N4O3S.C20H20N2O5S.C18H20N6O3S/c1-16(2)33(31,32)26-20-14-10-18(11-15-20)23(30)24-19-12-8-17(9-13-19)22-25-27-28-29(22)21-6-4-3-5-7-21;1-15(2)31(28,29)25-22-11-6-19(12-16(22)3)23(27)24-20-7-9-21(10-8-20)26-13-17(4)30-18(5)14-26;1-15(2)30(27,28)24-20-7-5-18(6-8-20)22(26)23-19-9-11-21(12-10-19)25-13-16(3)29-17(4)14-25;1-14(2)29(27,28)25-17-10-8-16(9-11-17)21(26)24-20-13-22-19(12-23-20)18-7-5-4-6-15(18)3;1-12(2)28(25,26)22-15-6-4-14(5-7-15)20(24)21-17-9-10-18-16(13(17)3)8-11-19(23)27-18;1-12(2)28(26,27)21-16-10-6-14(7-11-16)18(25)19-15-8-4-13(5-9-15)17-20-22-23-24(17)3/h3-16,26H,1-2H3,(H,24,30);6-12,15,17-18,25H,13-14H2,1-5H3,(H,24,27);5-12,15-17,24H,13-14H2,1-4H3,(H,23,26);4-14,25H,1-3H3,(H,23,24,26);4-12,22H,1-3H3,(H,21,24);4-12,21H,1-3H3,(H,19,25)/t;17-,18+;16-,17+;;;
InChIKeySSERHYMQWPNLJF-HSNGSVMLSA-N
XLogP21.08
TPSA619.75 Ų
H-Bond Donors12
H-Bond Acceptors34
Rotatable Bonds36
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002551.10
LogP ≤ 521.08
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide (CID 160922344) is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide is CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(-c3nnnn3-c3ccccc3)cc2)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(-c3nnnn3C)cc2)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)ccc2oc(=O)ccc12.Cc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1NS(=O)(=O)C(C)C.Cc1ccccc1-c1cnc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)cn1.
What is the InChIKey of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The InChIKey is SSERHYMQWPNLJF-HSNGSVMLSA-N. The full InChI is InChI=1S/C23H22N6O3S.C23H31N3O4S.C22H29N3O4S.C21H22N4O3S.C20H20N2O5S.C18H20N6O3S/c1-16(2)33(31,32)26-20-14-10-18(11-15-20)23(30)24-19-12-8-17(9-13-19)22-25-27-28-29(22)21-6-4-3-5-7-21;1-15(2)31(28,29)25-22-11-6-19(12-16(22)3)23(27)24-20-7-9-21(10-8-20)26-13-17(4)30-18(5)14-26;1-15(2)30(27,28)24-20-7-5-18(6-8-20)22(26)23-19-9-11-21(12-10-19)25-13-16(3)29-17(4)14-25;1-14(2)29(27,28)25-17-10-8-16(9-11-17)21(26)24-20-13-22-19(12-23-20)18-7-5-4-6-15(18)3;1-12(2)28(25,26)22-15-6-4-14(5-7-15)20(24)21-17-9-10-18-16(13(17)3)8-11-19(23)27-18;1-12(2)28(26,27)21-16-10-6-14(7-11-16)18(25)19-15-8-4-13(5-9-15)17-20-22-23-24(17)3/h3-16,26H,1-2H3,(H,24,30);6-12,15,17-18,25H,13-14H2,1-5H3,(H,24,27);5-12,15-17,24H,13-14H2,1-4H3,(H,23,26);4-14,25H,1-3H3,(H,23,24,26);4-12,22H,1-3H3,(H,21,24);4-12,21H,1-3H3,(H,19,25)/t;17-,18+;16-,17+;;;.
What are the key properties of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide has a molecular weight of 2551.10 g/mol, XLogP of 21.08, 36 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 160922344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).