4-methyl-N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]-2-(3-phenylphenyl)pentanamide

C26H29N3O4S — CID 15345958

IUPAC4-methyl-N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]-2-(3-phenylphenyl)pentanamide
SMILESCC(C)CC(C(=O)NCC(=O)CNS(=O)(=O)c1ccccn1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C26H29N3O4S/c1-19(2)15-24(22-12-8-11-21(16-22)20-9-4-3-5-10-20)26(31)28-17-23(30)18-29-34(32,33)25-13-6-7-14-27-25/h3-14,16,19,24,29H,15,17-18H2,1-2H3,(H,28,31)
InChIKeyBZEYCUAOMWSQJB-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.54
Rot. Bonds11

About 4-methyl-N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]-2-(3-phenylphenyl)pentanamide

4-methyl-N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]-2-(3-phenylphenyl)pentanamide (PubChem CID 15345958) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 4-methyl-N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]-2-(3-phenylphenyl)pentanamide.

Molecular Properties

Compound Name4-methyl-N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]-2-(3-phenylphenyl)pentanamide
PubChem CID15345958
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name4-methyl-N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]-2-(3-phenylphenyl)pentanamide
SMILESCC(C)CC(C(=O)NCC(=O)CNS(=O)(=O)c1ccccn1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C26H29N3O4S/c1-19(2)15-24(22-12-8-11-21(16-22)20-9-4-3-5-10-20)26(31)28-17-23(30)18-29-34(32,33)25-13-6-7-14-27-25/h3-14,16,19,24,29H,15,17-18H2,1-2H3,(H,28,31)
InChIKeyBZEYCUAOMWSQJB-UHFFFAOYSA-N
XLogP3.54
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3-Biphenylyl)-N-{(2R)-2-hydroxy-3-[(2-pyridinylsulfonyl)amino]propyl}-4-methylpentanamide
CID 5288593
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 3161025
4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 3888077
N-[(2S)-4-methyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]pentan-2-yl]naphthalene-1-carboxamide
CID 11606272
(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
CID 134189929
3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 139369429
4-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 139390942
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(3-pyridinylmethyl)acetamide
CID 646161
3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
CID 1006973
N-(Pyridin-3-ylmethyl)-1-tosylpiperidine-4-carboxamide
CID 1077698
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(3-pyridinylmethyl)propanamide
CID 1211089
Cambridge id 7171821
CID 1312346

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]-2-(3-phenylphenyl)pentanamide?
The IUPAC name of 4-methyl-N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]-2-(3-phenylphenyl)pentanamide (CID 15345958) is 4-methyl-N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]-2-(3-phenylphenyl)pentanamide.
What is the SMILES notation for 4-methyl-N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]-2-(3-phenylphenyl)pentanamide?
The canonical SMILES for 4-methyl-N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]-2-(3-phenylphenyl)pentanamide is CC(C)CC(C(=O)NCC(=O)CNS(=O)(=O)c1ccccn1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-methyl-N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]-2-(3-phenylphenyl)pentanamide?
The InChIKey is BZEYCUAOMWSQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-19(2)15-24(22-12-8-11-21(16-22)20-9-4-3-5-10-20)26(31)28-17-23(30)18-29-34(32,33)25-13-6-7-14-27-25/h3-14,16,19,24,29H,15,17-18H2,1-2H3,(H,28,31).
What are the key properties of 4-methyl-N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]-2-(3-phenylphenyl)pentanamide?
4-methyl-N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]-2-(3-phenylphenyl)pentanamide has a molecular weight of 479.60 g/mol, XLogP of 3.54, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]-2-(3-phenylphenyl)pentanamide is sourced from PubChem (CID 15345958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).