N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide

C23H26N4O3S — CID 60570329

IUPACN-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(C)C(=O)NCc2ccccc2)nc1
InChIInChI=1S/C23H26N4O3S/c1-3-27(20-12-8-5-9-13-20)31(29,30)21-14-15-22(24-17-21)26-18(2)23(28)25-16-19-10-6-4-7-11-19/h4-15,17-18H,3,16H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyKOIUNRZLHOKONE-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.41
Rot. Bonds9

About N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide

N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide (PubChem CID 60570329) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
PubChem CID60570329
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(C)C(=O)NCc2ccccc2)nc1
InChIInChI=1S/C23H26N4O3S/c1-3-27(20-12-8-5-9-13-20)31(29,30)21-14-15-22(24-17-21)26-18(2)23(28)25-16-19-10-6-4-7-11-19/h4-15,17-18H,3,16H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyKOIUNRZLHOKONE-UHFFFAOYSA-N
XLogP3.41
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid
CID 122060688
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide
CID 112840794
6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 9107729
6-(cyclohexylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268373
N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide
CID 9111880
6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 55828070
N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide
CID 112798825
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
CID 9196231
6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268427
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide?
The IUPAC name of N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide (CID 60570329) is N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide.
What is the SMILES notation for N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide?
The canonical SMILES for N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(C)C(=O)NCc2ccccc2)nc1.
What is the InChIKey of N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide?
The InChIKey is KOIUNRZLHOKONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-3-27(20-12-8-5-9-13-20)31(29,30)21-14-15-22(24-17-21)26-18(2)23(28)25-16-19-10-6-4-7-11-19/h4-15,17-18H,3,16H2,1-2H3,(H,24,26)(H,25,28).
What are the key properties of N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide?
N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide has a molecular weight of 438.55 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 60570329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).