(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide

C21H29N5O4S — CID 56553247

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(CC3CCCCC3)[nH]n2)cc1
InChIInChI=1S/C21H29N5O4S/c1-14(26-31(29,30)19-10-8-17(9-11-19)22-15(2)27)21(28)23-20-13-18(24-25-20)12-16-6-4-3-5-7-16/h8-11,13-14,16,26H,3-7,12H2,1-2H3,(H,22,27)(H2,23,24,25,28)/t14-/m0/s1
InChIKeyLUIDWHVNUXLTEX-AWEZNQCLSA-N
MW447.56 g/mol
LogP2.80
Rot. Bonds8

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide (PubChem CID 56553247) has the molecular formula C21H29N5O4S and a molecular weight of 447.56 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide
PubChem CID56553247
Molecular FormulaC21H29N5O4S
Molecular Weight447.56 g/mol
Exact Mass447.19
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(CC3CCCCC3)[nH]n2)cc1
InChIInChI=1S/C21H29N5O4S/c1-14(26-31(29,30)19-10-8-17(9-11-19)22-15(2)27)21(28)23-20-13-18(24-25-20)12-16-6-4-3-5-7-16/h8-11,13-14,16,26H,3-7,12H2,1-2H3,(H,22,27)(H2,23,24,25,28)/t14-/m0/s1
InChIKeyLUIDWHVNUXLTEX-AWEZNQCLSA-N
XLogP2.80
TPSA133.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
CID 47060223
5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 126779463
2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide
CID 56552360
1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(methylsulfamoyl)phenyl]urea
CID 126767720
1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea
CID 126774705
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide
CID 55939369
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55972269
2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide
CID 119574894

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide (CID 56553247) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(CC3CCCCC3)[nH]n2)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide?
The InChIKey is LUIDWHVNUXLTEX-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H29N5O4S/c1-14(26-31(29,30)19-10-8-17(9-11-19)22-15(2)27)21(28)23-20-13-18(24-25-20)12-16-6-4-3-5-7-16/h8-11,13-14,16,26H,3-7,12H2,1-2H3,(H,22,27)(H2,23,24,25,28)/t14-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide has a molecular weight of 447.56 g/mol, XLogP of 2.80, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 56553247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).