5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide

C13H15N3O3S2 — CID 79611666

IUPAC5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NCc2cc(C(N)=O)cs2)cc1
InChIInChI=1S/C13H15N3O3S2/c1-21(18,19)16-11-4-2-10(3-5-11)15-7-12-6-9(8-20-12)13(14)17/h2-6,8,15-16H,7H2,1H3,(H2,14,17)
InChIKeyLPDNUVRCOQZETP-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.83
Rot. Bonds6

About 5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide

5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide (PubChem CID 79611666) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide
PubChem CID79611666
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NCc2cc(C(N)=O)cs2)cc1
InChIInChI=1S/C13H15N3O3S2/c1-21(18,19)16-11-4-2-10(3-5-11)15-7-12-6-9(8-20-12)13(14)17/h2-6,8,15-16H,7H2,1H3,(H2,14,17)
InChIKeyLPDNUVRCOQZETP-UHFFFAOYSA-N
XLogP1.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79613574
5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide
CID 79605741
ethyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79610647
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
5-[(3-bromo-4-iodoanilino)methyl]thiophene-3-carboxamide
CID 114261938
5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
CID 79614007
5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide
CID 79611128
5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide
CID 79614134
5-[(3-ethylanilino)methyl]thiophene-3-carboxamide
CID 79606559
5-[(3-bromo-4-nitroanilino)methyl]thiophene-3-carboxamide
CID 82865173
5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
CID 75385201
5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide
CID 79614000

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide (CID 79611666) is 5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide is CS(=O)(=O)Nc1ccc(NCc2cc(C(N)=O)cs2)cc1.
What is the InChIKey of 5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide?
The InChIKey is LPDNUVRCOQZETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-21(18,19)16-11-4-2-10(3-5-11)15-7-12-6-9(8-20-12)13(14)17/h2-6,8,15-16H,7H2,1H3,(H2,14,17).
What are the key properties of 5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide?
5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79611666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).