N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-iodophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide

C115H167ClFIN16O21S6 — CID 157372626

IUPACN-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-iodophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(F)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(I)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCCCC2)cc1.CCn1c2ccccc2c2cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc21.Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc1N1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C24H28ClN3O5S.C23H31N3O3S.C20H33N3O3S.C18H29N3O4S.C15H23FN2O3S.C15H23IN2O3S/c1-15-13-17(27-21(29)7-5-6-12-26-34(32,33)24(2,3)4)9-11-20(15)28-22(30)18-10-8-16(25)14-19(18)23(28)31;1-5-26-20-11-7-6-10-18(20)19-16-17(13-14-21(19)26)25-22(27)12-8-9-15-24-30(28,29)23(2,3)4;1-20(2,3)27(25,26)21-14-6-5-9-19(24)22-17-10-12-18(13-11-17)23-15-7-4-8-16-23;1-14(22)21(5)16-11-9-15(10-12-16)20-17(23)8-6-7-13-19-26(24,25)18(2,3)4;2*1-15(2,3)22(20,21)17-11-5-4-6-14(19)18-13-9-7-12(16)8-10-13/h8-11,13-14,26H,5-7,12H2,1-4H3,(H,27,29);6-7,10-11,13-14,16,24H,5,8-9,12,15H2,1-4H3,(H,25,27);10-13,21H,4-9,14-16H2,1-3H3,(H,22,24);9-12,19H,6-8,13H2,1-5H3,(H,20,23);2*7-10,17H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyBJYDKMDSGUVWRM-UHFFFAOYSA-N
MW2483.45 g/mol
LogP20.69
Rot. Bonds46

About N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-iodophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide

N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-iodophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide (PubChem CID 157372626) has the molecular formula C115H167ClFIN16O21S6 and a molecular weight of 2483.45 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-iodophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-iodophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide
PubChem CID157372626
Molecular FormulaC115H167ClFIN16O21S6
Molecular Weight2483.45 g/mol
Exact Mass2480.95
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-iodophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(F)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(I)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCCCC2)cc1.CCn1c2ccccc2c2cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc21.Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc1N1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C24H28ClN3O5S.C23H31N3O3S.C20H33N3O3S.C18H29N3O4S.C15H23FN2O3S.C15H23IN2O3S/c1-15-13-17(27-21(29)7-5-6-12-26-34(32,33)24(2,3)4)9-11-20(15)28-22(30)18-10-8-16(25)14-19(18)23(28)31;1-5-26-20-11-7-6-10-18(20)19-16-17(13-14-21(19)26)25-22(27)12-8-9-15-24-30(28,29)23(2,3)4;1-20(2,3)27(25,26)21-14-6-5-9-19(24)22-17-10-12-18(13-11-17)23-15-7-4-8-16-23;1-14(22)21(5)16-11-9-15(10-12-16)20-17(23)8-6-7-13-19-26(24,25)18(2,3)4;2*1-15(2,3)22(20,21)17-11-5-4-6-14(19)18-13-9-7-12(16)8-10-13/h8-11,13-14,26H,5-7,12H2,1-4H3,(H,27,29);6-7,10-11,13-14,16,24H,5,8-9,12,15H2,1-4H3,(H,25,27);10-13,21H,4-9,14-16H2,1-3H3,(H,22,24);9-12,19H,6-8,13H2,1-5H3,(H,20,23);2*7-10,17H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyBJYDKMDSGUVWRM-UHFFFAOYSA-N
XLogP20.69
TPSA517.48 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds46
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002483.45
LogP ≤ 520.69
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-iodophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-iodophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide (CID 157372626) is N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-iodophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-iodophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-iodophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide is CC(=O)N(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(F)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(I)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCCCC2)cc1.CCn1c2ccccc2c2cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc21.Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc1N1C(=O)c2ccc(Cl)cc2C1=O.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-iodophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide?
The InChIKey is BJYDKMDSGUVWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O5S.C23H31N3O3S.C20H33N3O3S.C18H29N3O4S.C15H23FN2O3S.C15H23IN2O3S/c1-15-13-17(27-21(29)7-5-6-12-26-34(32,33)24(2,3)4)9-11-20(15)28-22(30)18-10-8-16(25)14-19(18)23(28)31;1-5-26-20-11-7-6-10-18(20)19-16-17(13-14-21(19)26)25-22(27)12-8-9-15-24-30(28,29)23(2,3)4;1-20(2,3)27(25,26)21-14-6-5-9-19(24)22-17-10-12-18(13-11-17)23-15-7-4-8-16-23;1-14(22)21(5)16-11-9-15(10-12-16)20-17(23)8-6-7-13-19-26(24,25)18(2,3)4;2*1-15(2,3)22(20,21)17-11-5-4-6-14(19)18-13-9-7-12(16)8-10-13/h8-11,13-14,26H,5-7,12H2,1-4H3,(H,27,29);6-7,10-11,13-14,16,24H,5,8-9,12,15H2,1-4H3,(H,25,27);10-13,21H,4-9,14-16H2,1-3H3,(H,22,24);9-12,19H,6-8,13H2,1-5H3,(H,20,23);2*7-10,17H,4-6,11H2,1-3H3,(H,18,19).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-iodophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide?
N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-iodophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide has a molecular weight of 2483.45 g/mol, XLogP of 20.69, 46 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-iodophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide is sourced from PubChem (CID 157372626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).