2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide

C13H13N3O4S2 — CID 9085464

IUPAC2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCc1ccc(C(=O)NNC(=O)c2cccs2)cc1S(N)(=O)=O
InChIInChI=1S/C13H13N3O4S2/c1-8-4-5-9(7-11(8)22(14,19)20)12(17)15-16-13(18)10-3-2-6-21-10/h2-7H,1H3,(H,15,17)(H,16,18)(H2,14,19,20)
InChIKeyHDCUEKSDNLXGIT-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.78
Rot. Bonds3

About 2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide

2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide (PubChem CID 9085464) has the molecular formula C13H13N3O4S2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
PubChem CID9085464
Molecular FormulaC13H13N3O4S2
Molecular Weight339.40 g/mol
Exact Mass339.03
IUPAC Name2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCc1ccc(C(=O)NNC(=O)c2cccs2)cc1S(N)(=O)=O
InChIInChI=1S/C13H13N3O4S2/c1-8-4-5-9(7-11(8)22(14,19)20)12(17)15-16-13(18)10-3-2-6-21-10/h2-7H,1H3,(H,15,17)(H,16,18)(H2,14,19,20)
InChIKeyHDCUEKSDNLXGIT-UHFFFAOYSA-N
XLogP0.78
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide
CID 920970
N'-(4-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3316001
2-methyl-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide
CID 9089044
5-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-2-methylbenzenesulfonamide
CID 9084706
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 809220
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 42917748
1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea
CID 9085389
N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide
CID 8617039
5-[[[2-(2-fluorophenyl)sulfanylacetyl]amino]carbamoyl]-2-methylbenzenesulfonamide
CID 9091346
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
CID 959994
N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide
CID 8637772

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide?
The IUPAC name of 2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide (CID 9085464) is 2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide is Cc1ccc(C(=O)NNC(=O)c2cccs2)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide?
The InChIKey is HDCUEKSDNLXGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S2/c1-8-4-5-9(7-11(8)22(14,19)20)12(17)15-16-13(18)10-3-2-6-21-10/h2-7H,1H3,(H,15,17)(H,16,18)(H2,14,19,20).
What are the key properties of 2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide?
2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide has a molecular weight of 339.40 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 9085464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).