2-[(5-methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide

C17H15N3O3S2 — CID 25127785

IUPAC2-[(5-methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
SMILESCS(=O)(=O)c1ccc(Nc2sc(-c3ccccc3)cc2C(N)=O)nc1
InChIInChI=1S/C17H15N3O3S2/c1-25(22,23)12-7-8-15(19-10-12)20-17-13(16(18)21)9-14(24-17)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,21)(H,19,20)
InChIKeyALQAFKSRAQPQEL-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.06
Rot. Bonds5

About 2-[(5-methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide

2-[(5-methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide (PubChem CID 25127785) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[(5-methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(5-methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
PubChem CID25127785
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC Name2-[(5-methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
SMILESCS(=O)(=O)c1ccc(Nc2sc(-c3ccccc3)cc2C(N)=O)nc1
InChIInChI=1S/C17H15N3O3S2/c1-25(22,23)12-7-8-15(19-10-12)20-17-13(16(18)21)9-14(24-17)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,21)(H,19,20)
InChIKeyALQAFKSRAQPQEL-UHFFFAOYSA-N
XLogP3.06
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 53497572
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CID 66553052
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
6-methyl-5-phenyl-2-(pyridin-3-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 852962
6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2106365
2-(2,2-dimethylpropanoylamino)-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2174274
5-ethyl-4-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 4789493
N-(4-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 16377304
4-(2,5-dimethylthiophen-3-yl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide
CID 18106949
4-keto-N-(3-methyl-2-pyridyl)-4-(2-thienyl)butyramide
CID 18106997
2-(butanoylamino)-N-(pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3153379
N-[4-[4-(3-Methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]benzamide
CID 10301843

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[(5-methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide (CID 25127785) is 2-[(5-methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(5-methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[(5-methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide is CS(=O)(=O)c1ccc(Nc2sc(-c3ccccc3)cc2C(N)=O)nc1.
What is the InChIKey of 2-[(5-methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is ALQAFKSRAQPQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c1-25(22,23)12-7-8-15(19-10-12)20-17-13(16(18)21)9-14(24-17)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,21)(H,19,20).
What are the key properties of 2-[(5-methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide?
2-[(5-methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 25127785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).