(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C15H18N4O4S2 — CID 55936156

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C15H18N4O4S2/c1-9-8-16-15(24-9)18-14(21)10(2)19-25(22,23)13-6-4-12(5-7-13)17-11(3)20/h4-8,10,19H,1-3H3,(H,17,20)(H,16,18,21)/t10-/m0/s1
InChIKeyDHJYTYWYCMFHGS-JTQLQIEISA-N
MW382.47 g/mol
LogP1.72
Rot. Bonds6

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 55936156) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID55936156
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C15H18N4O4S2/c1-9-8-16-15(24-9)18-14(21)10(2)19-25(22,23)13-6-4-12(5-7-13)17-11(3)20/h4-8,10,19H,1-3H3,(H,17,20)(H,16,18,21)/t10-/m0/s1
InChIKeyDHJYTYWYCMFHGS-JTQLQIEISA-N
XLogP1.72
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(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-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 51968908
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 40986682
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 24537324
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119224998
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 24536242
2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 3613699
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 55936156) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ncc(C)s2)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is DHJYTYWYCMFHGS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N4O4S2/c1-9-8-16-15(24-9)18-14(21)10(2)19-25(22,23)13-6-4-12(5-7-13)17-11(3)20/h4-8,10,19H,1-3H3,(H,17,20)(H,16,18,21)/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 382.47 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 55936156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).