N-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide

C19H16FNO3S2 — CID 86971410

IUPACN-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide
SMILESCCS(=O)(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3F)s2)c1
InChIInChI=1S/C19H16FNO3S2/c1-2-26(23,24)14-7-5-6-13(12-14)21-19(22)18-11-10-17(25-18)15-8-3-4-9-16(15)20/h3-12H,2H2,1H3,(H,21,22)
InChIKeyKTQSASFMVWVLSU-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.60
Rot. Bonds5

About N-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide

N-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide (PubChem CID 86971410) has the molecular formula C19H16FNO3S2 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide
PubChem CID86971410
Molecular FormulaC19H16FNO3S2
Molecular Weight389.47 g/mol
Exact Mass389.06
IUPAC NameN-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide
SMILESCCS(=O)(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3F)s2)c1
InChIInChI=1S/C19H16FNO3S2/c1-2-26(23,24)14-7-5-6-13(12-14)21-19(22)18-11-10-17(25-18)15-8-3-4-9-16(15)20/h3-12H,2H2,1H3,(H,21,22)
InChIKeyKTQSASFMVWVLSU-UHFFFAOYSA-N
XLogP4.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide
CID 52668662
5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 46408534
N-(2-ethoxy-3-pyridinyl)-5-(2-fluorophenyl)thiophene-2-carboxamide
CID 34955469
5-(2-fluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 55604393
N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(2-fluorophenyl)thiophene-2-carboxamide
CID 119042906
N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 46650848
N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide
CID 38504188
N,5-diphenylthiophene-2-carboxamide
CID 3746437
5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 52804465
1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one
CID 43154054
5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 55605253
N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 55368088

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide (CID 86971410) is N-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide is CCS(=O)(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3F)s2)c1.
What is the InChIKey of N-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is KTQSASFMVWVLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S2/c1-2-26(23,24)14-7-5-6-13(12-14)21-19(22)18-11-10-17(25-18)15-8-3-4-9-16(15)20/h3-12H,2H2,1H3,(H,21,22).
What are the key properties of N-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide?
N-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 389.47 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 86971410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).