5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide

C13H14N2O3S2 — CID 79614007

IUPAC5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
SMILESCS(=O)(=O)c1ccccc1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C13H14N2O3S2/c1-20(17,18)12-5-3-2-4-11(12)15-7-10-6-9(8-19-10)13(14)16/h2-6,8,15H,7H2,1H3,(H2,14,16)
InChIKeyDRAKLOQBSDERRY-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.86
Rot. Bonds5

About 5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide

5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide (PubChem CID 79614007) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
PubChem CID79614007
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
SMILESCS(=O)(=O)c1ccccc1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C13H14N2O3S2/c1-20(17,18)12-5-3-2-4-11(12)15-7-10-6-9(8-19-10)13(14)16/h2-6,8,15H,7H2,1H3,(H2,14,16)
InChIKeyDRAKLOQBSDERRY-UHFFFAOYSA-N
XLogP1.86
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide
CID 79606552
5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide
CID 79613750
5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide
CID 79614071
5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide
CID 79611666
5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide
CID 79611377
5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
CID 79611373
5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611958
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
4-[(4-carbamoylthiophen-2-yl)methylamino]-3-methylbenzoic acid
CID 79614700
5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide
CID 79611128
5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide
CID 79614589

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide (CID 79614007) is 5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide is CS(=O)(=O)c1ccccc1NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide?
The InChIKey is DRAKLOQBSDERRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-20(17,18)12-5-3-2-4-11(12)15-7-10-6-9(8-19-10)13(14)16/h2-6,8,15H,7H2,1H3,(H2,14,16).
What are the key properties of 5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide?
5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).