(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide

C17H18ClN3O4S — CID 2100165

IUPAC(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClN3O4S/c1-11(21-26(24,25)16-9-3-13(18)4-10-16)17(23)20-15-7-5-14(6-8-15)19-12(2)22/h3-11,21H,1-2H3,(H,19,22)(H,20,23)/t11-/m0/s1
InChIKeyUAVFETWDPPGYDB-NSHDSACASA-N
MW395.87 g/mol
LogP2.60
Rot. Bonds6

About (2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide

(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide (PubChem CID 2100165) has the molecular formula C17H18ClN3O4S and a molecular weight of 395.87 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
PubChem CID2100165
Molecular FormulaC17H18ClN3O4S
Molecular Weight395.87 g/mol
Exact Mass395.07
IUPAC Name(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClN3O4S/c1-11(21-26(24,25)16-9-3-13(18)4-10-16)17(23)20-15-7-5-14(6-8-15)19-12(2)22/h3-11,21H,1-2H3,(H,19,22)(H,20,23)/t11-/m0/s1
InChIKeyUAVFETWDPPGYDB-NSHDSACASA-N
XLogP2.60
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 41260416
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 24537324
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119224998
methyl 5-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoyl]amino]-2-chlorobenzoate
CID 34159763
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]propanamide
CID 27646908

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide (CID 2100165) is (2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide is CC(=O)Nc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is UAVFETWDPPGYDB-NSHDSACASA-N. The full InChI is InChI=1S/C17H18ClN3O4S/c1-11(21-26(24,25)16-9-3-13(18)4-10-16)17(23)20-15-7-5-14(6-8-15)19-12(2)22/h3-11,21H,1-2H3,(H,19,22)(H,20,23)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 395.87 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 2100165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).