N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-3-methyl-1-benzothiophene-2-carboxamide

C24H19FN2O2S — CID 18376671

IUPACN-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3ccccc3c2C)c(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C24H19FN2O2S/c1-14-7-12-20(19(13-14)23(28)26-17-10-8-16(25)9-11-17)27-24(29)22-15(2)18-5-3-4-6-21(18)30-22/h3-13H,1-2H3,(H,26,28)(H,27,29)
InChIKeyVUZQMQLOGAJZPS-UHFFFAOYSA-N
MW418.49 g/mol
LogP6.16
Rot. Bonds4

About N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-3-methyl-1-benzothiophene-2-carboxamide

N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 18376671) has the molecular formula C24H19FN2O2S and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID18376671
Molecular FormulaC24H19FN2O2S
Molecular Weight418.49 g/mol
Exact Mass418.12
IUPAC NameN-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3ccccc3c2C)c(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C24H19FN2O2S/c1-14-7-12-20(19(13-14)23(28)26-17-10-8-16(25)9-11-17)27-24(29)22-15(2)18-5-3-4-6-21(18)30-22/h3-13H,1-2H3,(H,26,28)(H,27,29)
InChIKeyVUZQMQLOGAJZPS-UHFFFAOYSA-N
XLogP6.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[2-[[(4-chlorophenyl)amino]carbonyl]-4-methylphenyl]-
CID 10411684
N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-3-methyl-1-benzothiophene-2-carboxamide
CID 18377048
3-chloro-N-(2-((4-fluorophenyl)carbamoyl)-4-methylphenyl)-1-benzothiophene-2-carboxamide
CID 2796875
N-[2-[(4-bromophenyl)carbamoyl]-4-methylphenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 10368685
Cambridge id 5272675
CID 1377411
N-[2-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 715970
N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1215015
Thiophene-2-carboxylic acid [3-(4-fluoro-benzoylamino)-4-methyl-phenyl]-amide
CID 1432986
N-phenyl-2-benzo[g][1]benzothiolecarboxamide
CID 2825931
2-benzamido-N-(2-ethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1659787
N-phenyl-1-benzothiophene-2-carboxamide
CID 237071
N-(2-methylphenyl)-2-[(trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3825946

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-3-methyl-1-benzothiophene-2-carboxamide (CID 18376671) is N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-3-methyl-1-benzothiophene-2-carboxamide is Cc1ccc(NC(=O)c2sc3ccccc3c2C)c(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is VUZQMQLOGAJZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2S/c1-14-7-12-20(19(13-14)23(28)26-17-10-8-16(25)9-11-17)27-24(29)22-15(2)18-5-3-4-6-21(18)30-22/h3-13H,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-3-methyl-1-benzothiophene-2-carboxamide?
N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 6.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18376671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).