5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide

C20H15F3N2O2S — CID 55571774

IUPAC5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2cccc(C(F)(F)F)c2)c(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C20H15F3N2O2S/c1-11-15(12-6-3-2-4-7-12)16(17(24)26)19(28-11)25-18(27)13-8-5-9-14(10-13)20(21,22)23/h2-10H,1H3,(H2,24,26)(H,25,27)
InChIKeyMZFVWYLCIDGAFL-UHFFFAOYSA-N
MW404.41 g/mol
LogP5.09
Rot. Bonds4

About 5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide

5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide (PubChem CID 55571774) has the molecular formula C20H15F3N2O2S and a molecular weight of 404.41 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide
PubChem CID55571774
Molecular FormulaC20H15F3N2O2S
Molecular Weight404.41 g/mol
Exact Mass404.08
IUPAC Name5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2cccc(C(F)(F)F)c2)c(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C20H15F3N2O2S/c1-11-15(12-6-3-2-4-7-12)16(17(24)26)19(28-11)25-18(27)13-8-5-9-14(10-13)20(21,22)23/h2-10H,1H3,(H2,24,26)(H,25,27)
InChIKeyMZFVWYLCIDGAFL-UHFFFAOYSA-N
XLogP5.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.41
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide
CID 7520896
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide
CID 56564014
ethyl 2-[[3-(difluoromethoxy)benzoyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate
CID 4765795
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide
CID 55572335
(5R)-5-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7090919
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-methylfuran-3-carboxamide
CID 1245726
methyl 2-[[3-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxylate
CID 7673157
2-benzamido-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylic acid
CID 139391539
ethyl 5-[[3-(trifluoromethyl)benzoyl]amino]thiadiazole-4-carboxylate
CID 155256709
ethyl 5-methyl-2-[(4-methylbenzoyl)amino]-4-phenylthiophene-3-carboxylate
CID 2281503
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide (CID 55571774) is 5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide is Cc1sc(NC(=O)c2cccc(C(F)(F)F)c2)c(C(N)=O)c1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide?
The InChIKey is MZFVWYLCIDGAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2S/c1-11-15(12-6-3-2-4-7-12)16(17(24)26)19(28-11)25-18(27)13-8-5-9-14(10-13)20(21,22)23/h2-10H,1H3,(H2,24,26)(H,25,27).
What are the key properties of 5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide?
5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide has a molecular weight of 404.41 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 55571774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).