N-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide

C17H12F3NO2S — CID 60564733

IUPACN-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2OC(F)F)sc2ccc(F)cc12
InChIInChI=1S/C17H12F3NO2S/c1-9-11-8-10(18)6-7-14(11)24-15(9)16(22)21-12-4-2-3-5-13(12)23-17(19)20/h2-8,17H,1H3,(H,21,22)
InChIKeyHVQNAZPSIRWOLG-UHFFFAOYSA-N
MW351.35 g/mol
LogP5.20
Rot. Bonds4

About N-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide

N-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 60564733) has the molecular formula C17H12F3NO2S and a molecular weight of 351.35 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID60564733
Molecular FormulaC17H12F3NO2S
Molecular Weight351.35 g/mol
Exact Mass351.05
IUPAC NameN-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2OC(F)F)sc2ccc(F)cc12
InChIInChI=1S/C17H12F3NO2S/c1-9-11-8-10(18)6-7-14(11)24-15(9)16(22)21-12-4-2-3-5-13(12)23-17(19)20/h2-8,17H,1H3,(H,21,22)
InChIKeyHVQNAZPSIRWOLG-UHFFFAOYSA-N
XLogP5.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.35
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(difluoromethoxy)phenyl]-5-fluoro-2-methoxybenzamide
CID 31079743
N-[2-(difluoromethoxy)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2667604
4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8776982
4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 33070425
5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 43414513
N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
CID 17394633
5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide
CID 61290396
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 60567375
N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide
CID 103955493
N-[2-(difluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 953096
N-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide
CID 107022248

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide (CID 60564733) is N-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2ccccc2OC(F)F)sc2ccc(F)cc12.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is HVQNAZPSIRWOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2S/c1-9-11-8-10(18)6-7-14(11)24-15(9)16(22)21-12-4-2-3-5-13(12)23-17(19)20/h2-8,17H,1H3,(H,21,22).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
N-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 351.35 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 60564733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).