4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide

C14H14N2O4S2 — CID 18474185

IUPAC4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide
SMILESCc1csc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1C(N)=O
InChIInChI=1S/C14H14N2O4S2/c1-8-7-21-14(11(8)12(15)17)16-13(18)9-3-5-10(6-4-9)22(2,19)20/h3-7H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyVNDPKBSQFFJKFN-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.81
Rot. Bonds4

About 4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide

4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 18474185) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide
PubChem CID18474185
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC Name4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide
SMILESCc1csc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1C(N)=O
InChIInChI=1S/C14H14N2O4S2/c1-8-7-21-14(11(8)12(15)17)16-13(18)9-3-5-10(6-4-9)22(2,19)20/h3-7H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyVNDPKBSQFFJKFN-UHFFFAOYSA-N
XLogP1.81
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide (CID 18474185) is 4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide is Cc1csc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1C(N)=O.
What is the InChIKey of 4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is VNDPKBSQFFJKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c1-8-7-21-14(11(8)12(15)17)16-13(18)9-3-5-10(6-4-9)22(2,19)20/h3-7H,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 18474185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).