N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide

C15H17NO3S2 — CID 39862739

IUPACN-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C15H17NO3S2/c1-4-21(18,19)13-7-5-12(6-8-13)16-15(17)14-9-10(2)20-11(14)3/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyMMVJQXVZABKDLW-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.41
Rot. Bonds4

About N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide

N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide (PubChem CID 39862739) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide
PubChem CID39862739
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC NameN-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C15H17NO3S2/c1-4-21(18,19)13-7-5-12(6-8-13)16-15(17)14-9-10(2)20-11(14)3/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyMMVJQXVZABKDLW-UHFFFAOYSA-N
XLogP3.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2,5-dimethylthiophene-3-carboxamide
CID 9394724
2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid
CID 62034278
N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998428
5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
CID 63654176
2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide
CID 106853117
5-[(2-chloro-4-fluorobenzoyl)amino]-N-(4-ethylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 55870829
N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
CID 42021503
N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 42022646
N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 135292739
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55890640
N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 18196520
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55384187

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide (CID 39862739) is N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide is CCS(=O)(=O)c1ccc(NC(=O)c2cc(C)sc2C)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is MMVJQXVZABKDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-4-21(18,19)13-7-5-12(6-8-13)16-15(17)14-9-10(2)20-11(14)3/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide?
N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 39862739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).