2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide

C19H16N2O4S2 — CID 16857911

IUPAC2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O
InChIInChI=1S/C19H16N2O4S2/c1-27(24,25)16-10-6-5-9-13(16)18(23)21-19-14(17(20)22)11-15(26-19)12-7-3-2-4-8-12/h2-11H,1H3,(H2,20,22)(H,21,23)
InChIKeyBQDSCIDFTQYVDT-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.17
Rot. Bonds5

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

2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide (PubChem CID 16857911) has the molecular formula C19H16N2O4S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide
PubChem CID16857911
Molecular FormulaC19H16N2O4S2
Molecular Weight400.48 g/mol
Exact Mass400.06
IUPAC Name2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O
InChIInChI=1S/C19H16N2O4S2/c1-27(24,25)16-10-6-5-9-13(16)18(23)21-19-14(17(20)22)11-15(26-19)12-7-3-2-4-8-12/h2-11H,1H3,(H2,20,22)(H,21,23)
InChIKeyBQDSCIDFTQYVDT-UHFFFAOYSA-N
XLogP3.17
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 41154223
2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide
CID 118729460
2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 16857829
2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 4826880
5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide
CID 87897926
N-(3-carbamoyl-5-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide
CID 16857844
(2R)-N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27452148
2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 16857860
2-[3-(4-methylphenyl)sulfonylpropanoylamino]-5-phenylthiophene-3-carboxamide
CID 16857906
2-[[2-(4-acetylanilino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9113396
2-[(4-tert-butylbenzoyl)amino]-5-phenylthiophene-3-carboxylic acid
CID 28860572
5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide
CID 3534907

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide (CID 16857911) is 2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide is CS(=O)(=O)c1ccccc1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O.
What is the InChIKey of 2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is BQDSCIDFTQYVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S2/c1-27(24,25)16-10-6-5-9-13(16)18(23)21-19-14(17(20)22)11-15(26-19)12-7-3-2-4-8-12/h2-11H,1H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide?
2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 16857911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).