N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide

C19H16FNO3S2 — CID 53124593

IUPACN-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c(F)c3)s2)cc1
InChIInChI=1S/C19H16FNO3S2/c1-12-3-7-15(8-4-12)26(23,24)18-10-9-17(25-18)19(22)21-14-6-5-13(2)16(20)11-14/h3-11H,1-2H3,(H,21,22)
InChIKeySUFGPQIIMWPHCP-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.59
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide

N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide (PubChem CID 53124593) has the molecular formula C19H16FNO3S2 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
PubChem CID53124593
Molecular FormulaC19H16FNO3S2
Molecular Weight389.47 g/mol
Exact Mass389.06
IUPAC NameN-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c(F)c3)s2)cc1
InChIInChI=1S/C19H16FNO3S2/c1-12-3-7-15(8-4-12)26(23,24)18-10-9-17(25-18)19(22)21-14-6-5-13(2)16(20)11-14/h3-11H,1-2H3,(H,21,22)
InChIKeySUFGPQIIMWPHCP-UHFFFAOYSA-N
XLogP4.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124608
5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026479
N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
CID 53124429
4-amino-N-(3-fluoro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61090591
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116
N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066366
5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide
CID 53124627
N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405775
N-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide
CID 36650519
N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 4110794
2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53054673
5-(benzenesulfonyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 53124355

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide (CID 53124593) is N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide is Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c(F)c3)s2)cc1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
The InChIKey is SUFGPQIIMWPHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S2/c1-12-3-7-15(8-4-12)26(23,24)18-10-9-17(25-18)19(22)21-14-6-5-13(2)16(20)11-14/h3-11H,1-2H3,(H,21,22).
What are the key properties of N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide has a molecular weight of 389.47 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 53124593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).