5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide

C21H19FN2O2S — CID 55605253

IUPAC5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccccc3F)s2)cc1
InChIInChI=1S/C21H19FN2O2S/c1-14-7-9-15(10-8-14)23-20(25)13-24(2)21(26)19-12-11-18(27-19)16-5-3-4-6-17(16)22/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyGJLQDVOJIOCZBC-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.57
Rot. Bonds5

About 5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide

5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 55605253) has the molecular formula C21H19FN2O2S and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID55605253
Molecular FormulaC21H19FN2O2S
Molecular Weight382.46 g/mol
Exact Mass382.12
IUPAC Name5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccccc3F)s2)cc1
InChIInChI=1S/C21H19FN2O2S/c1-14-7-9-15(10-8-14)23-20(25)13-24(2)21(26)19-12-11-18(27-19)16-5-3-4-6-17(16)22/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyGJLQDVOJIOCZBC-UHFFFAOYSA-N
XLogP4.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 38488991
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenylbenzamide
CID 55339888
N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propylthiophene-2-carboxamide
CID 9374479
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
4-ethyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-propylthiophene-2-carboxamide
CID 9374448
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 18104437
2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 24562343
2-[[2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 112784153
5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 27794621
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 9374474
3-chloro-6-fluoro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 27227143
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729092

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 55605253) is 5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccccc3F)s2)cc1.
What is the InChIKey of 5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is GJLQDVOJIOCZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2S/c1-14-7-9-15(10-8-14)23-20(25)13-24(2)21(26)19-12-11-18(27-19)16-5-3-4-6-17(16)22/h3-12H,13H2,1-2H3,(H,23,25).
What are the key properties of 5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55605253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).