N-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide

C13H14N4O4S2 — CID 24939194

IUPACN-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(C(=O)NNS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C13H14N4O4S2/c1-8-11(22-13(14-8)15-9(2)18)12(19)16-17-23(20,21)10-6-4-3-5-7-10/h3-7,17H,1-2H3,(H,16,19)(H,14,15,18)
InChIKeyAXVUMHBXKKCSDN-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.03
Rot. Bonds5

About N-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 24939194) has the molecular formula C13H14N4O4S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID24939194
Molecular FormulaC13H14N4O4S2
Molecular Weight354.41 g/mol
Exact Mass354.05
IUPAC NameN-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(C(=O)NNS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C13H14N4O4S2/c1-8-11(22-13(14-8)15-9(2)18)12(19)16-17-23(20,21)10-6-4-3-5-7-10/h3-7,17H,1-2H3,(H,16,19)(H,14,15,18)
InChIKeyAXVUMHBXKKCSDN-UHFFFAOYSA-N
XLogP1.03
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide
CID 7541869
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944395
2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 16944408
2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16828747
2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944431
1-[4-methyl-5-[(phenylcarbamothioylamino)carbamoyl]-1,3-thiazol-2-yl]-3-phenylthiourea
CID 24938319
N-[5-[5-(benzenesulfonamido)-2-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 86620407
N'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide
CID 125485508
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 709425
N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87177095
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide (CID 24939194) is N-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(C(=O)NNS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of N-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is AXVUMHBXKKCSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4S2/c1-8-11(22-13(14-8)15-9(2)18)12(19)16-17-23(20,21)10-6-4-3-5-7-10/h3-7,17H,1-2H3,(H,16,19)(H,14,15,18).
What are the key properties of N-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 24939194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).