(2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide

C19H23N3O4S — CID 2437234

IUPAC(2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-4-15-5-7-17(8-6-15)21-19(24)13(2)20-16-9-11-18(12-10-16)27(25,26)22-14(3)23/h5-13,20H,4H2,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKeyKUHWJEBRGQMLLO-ZDUSSCGKSA-N
MW389.48 g/mol
LogP2.51
Rot. Bonds7

About (2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide

(2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide (PubChem CID 2437234) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is (2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide
PubChem CID2437234
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name(2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-4-15-5-7-17(8-6-15)21-19(24)13(2)20-16-9-11-18(12-10-16)27(25,26)22-14(3)23/h5-13,20H,4H2,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKeyKUHWJEBRGQMLLO-ZDUSSCGKSA-N
XLogP2.51
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
N-(4-bromophenyl)-2-(4-ethylanilino)propanamide
CID 46799470
(2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide
CID 95970135
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide
CID 13252290
(2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide
CID 7801539
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
N-[4-(acetylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 2422278
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide?
The IUPAC name of (2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide (CID 2437234) is (2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for (2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)[C@H](C)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1.
What is the InChIKey of (2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide?
The InChIKey is KUHWJEBRGQMLLO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-4-15-5-7-17(8-6-15)21-19(24)13(2)20-16-9-11-18(12-10-16)27(25,26)22-14(3)23/h5-13,20H,4H2,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1.
What are the key properties of (2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide?
(2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide has a molecular weight of 389.48 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 2437234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).