4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide

C14H16N2O3S2 — CID 71852238

IUPAC4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cc(C(N)=O)sc2C)c1
InChIInChI=1S/C14H16N2O3S2/c1-8-4-5-9(2)13(6-8)21(18,19)16-11-7-12(14(15)17)20-10(11)3/h4-7,16H,1-3H3,(H2,15,17)
InChIKeyNCSYRAUPAQPOKA-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.57
Rot. Bonds4

About 4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide

4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide (PubChem CID 71852238) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide
PubChem CID71852238
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cc(C(N)=O)sc2C)c1
InChIInChI=1S/C14H16N2O3S2/c1-8-4-5-9(2)13(6-8)21(18,19)16-11-7-12(14(15)17)20-10(11)3/h4-7,16H,1-3H3,(H2,15,17)
InChIKeyNCSYRAUPAQPOKA-UHFFFAOYSA-N
XLogP2.57
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide (CID 71852238) is 4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide is Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(N)=O)sc2C)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide?
The InChIKey is NCSYRAUPAQPOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-8-4-5-9(2)13(6-8)21(18,19)16-11-7-12(14(15)17)20-10(11)3/h4-7,16H,1-3H3,(H2,15,17).
What are the key properties of 4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide?
4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 71852238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).