N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide

C13H13N3O4S2 — CID 15097317

IUPACN-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide
SMILESCNC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2cccs2)cc1
InChIInChI=1S/C13H13N3O4S2/c1-14-13(18)15-9-4-6-10(7-5-9)22(19,20)16-12(17)11-3-2-8-21-11/h2-8H,1H3,(H,16,17)(H2,14,15,18)
InChIKeyQMUDSHDJLGQXKO-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.62
Rot. Bonds4

About N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide

N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide (PubChem CID 15097317) has the molecular formula C13H13N3O4S2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide
PubChem CID15097317
Molecular FormulaC13H13N3O4S2
Molecular Weight339.40 g/mol
Exact Mass339.03
IUPAC NameN-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide
SMILESCNC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2cccs2)cc1
InChIInChI=1S/C13H13N3O4S2/c1-14-13(18)15-9-4-6-10(7-5-9)22(19,20)16-12(17)11-3-2-8-21-11/h2-8H,1H3,(H,16,17)(H2,14,15,18)
InChIKeyQMUDSHDJLGQXKO-UHFFFAOYSA-N
XLogP1.62
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide
CID 23556590
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 94151005
2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide
CID 174989796
4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
CID 15384313
3-methyl-2-[[4-[4-(thiophene-2-carbonylamino)phenyl]phenyl]sulfonylamino]butanoic acid
CID 68714126
4-(methylcarbamoylamino)benzenesulfonic acid
CID 58709255
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4930046
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 18191008
[4-(thiophene-2-carbonylamino)phenyl] 4-(propan-2-ylsulfamoyl)benzoate
CID 35607726
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide?
The IUPAC name of N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide (CID 15097317) is N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide is CNC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide?
The InChIKey is QMUDSHDJLGQXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S2/c1-14-13(18)15-9-4-6-10(7-5-9)22(19,20)16-12(17)11-3-2-8-21-11/h2-8H,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide?
N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 15097317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).