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

C15H18N4O4S2 — CID 4879582

IUPAC3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C15H18N4O4S2/c1-10-9-24-15(17-10)19-14(21)7-8-16-25(22,23)13-5-3-12(4-6-13)18-11(2)20/h3-6,9,16H,7-8H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyAPBOGBYXJGEOSN-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.72
Rot. Bonds7

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

3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 4879582) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID4879582
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC Name3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C15H18N4O4S2/c1-10-9-24-15(17-10)19-14(21)7-8-16-25(22,23)13-5-3-12(4-6-13)18-11(2)20/h3-6,9,16H,7-8H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyAPBOGBYXJGEOSN-UHFFFAOYSA-N
XLogP1.72
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 4879582) is 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is APBOGBYXJGEOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c1-10-9-24-15(17-10)19-14(21)7-8-16-25(22,23)13-5-3-12(4-6-13)18-11(2)20/h3-6,9,16H,7-8H2,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 382.47 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4879582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).