5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide

C21H19FN2O2S2 — CID 38488991

IUPAC5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C21H19FN2O2S2/c1-24(13-20(25)23-16-9-5-6-10-18(16)27-2)21(26)19-12-11-17(28-19)14-7-3-4-8-15(14)22/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyXBISXYGPMWDWBM-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.99
Rot. Bonds6

About 5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide

5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 38488991) has the molecular formula C21H19FN2O2S2 and a molecular weight of 414.53 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID38488991
Molecular FormulaC21H19FN2O2S2
Molecular Weight414.53 g/mol
Exact Mass414.09
IUPAC Name5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C21H19FN2O2S2/c1-24(13-20(25)23-16-9-5-6-10-18(16)27-2)21(26)19-12-11-17(28-19)14-7-3-4-8-15(14)22/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyXBISXYGPMWDWBM-UHFFFAOYSA-N
XLogP4.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 55605253
5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55875489
2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 2568683
4-chloro-2-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38768863
N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55606291
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026
N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417071
2-chloro-4-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38765269
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38764735
N-(2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide;oxalic acid
CID 15945240
3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 55688009
4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417009

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 38488991) is 5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide is CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2ccccc2F)s1.
What is the InChIKey of 5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is XBISXYGPMWDWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2S2/c1-24(13-20(25)23-16-9-5-6-10-18(16)27-2)21(26)19-12-11-17(28-19)14-7-3-4-8-15(14)22/h3-12H,13H2,1-2H3,(H,23,25).
What are the key properties of 5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide?
5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 38488991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).