N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide

C20H16F3NO3S — CID 19495087

IUPACN-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(COc3ccccc3F)cs2)c(OC(F)F)c1
InChIInChI=1S/C20H16F3NO3S/c1-12-6-7-15(17(8-12)27-20(22)23)24-19(25)18-9-13(11-28-18)10-26-16-5-3-2-4-14(16)21/h2-9,11,20H,10H2,1H3,(H,24,25)
InChIKeyWFNCTTYLBLTWNM-UHFFFAOYSA-N
MW407.41 g/mol
LogP5.63
Rot. Bonds7

About N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide

N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19495087) has the molecular formula C20H16F3NO3S and a molecular weight of 407.41 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
PubChem CID19495087
Molecular FormulaC20H16F3NO3S
Molecular Weight407.41 g/mol
Exact Mass407.08
IUPAC NameN-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(COc3ccccc3F)cs2)c(OC(F)F)c1
InChIInChI=1S/C20H16F3NO3S/c1-12-6-7-15(17(8-12)27-20(22)23)24-19(25)18-9-13(11-28-18)10-26-16-5-3-2-4-14(16)21/h2-9,11,20H,10H2,1H3,(H,24,25)
InChIKeyWFNCTTYLBLTWNM-UHFFFAOYSA-N
XLogP5.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.41
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490937
N-[2-(difluoromethoxy)-4-fluorophenyl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19490756
N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498820
N-(2,4-dimethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501342
4-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-carboxamide
CID 19503392
4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 19483536
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471677
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483618
N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495008
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]thiophene-2-carboxamide
CID 19494703
4-[(2,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19471555
4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19469618

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide (CID 19495087) is N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc(COc3ccccc3F)cs2)c(OC(F)F)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is WFNCTTYLBLTWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO3S/c1-12-6-7-15(17(8-12)27-20(22)23)24-19(25)18-9-13(11-28-18)10-26-16-5-3-2-4-14(16)21/h2-9,11,20H,10H2,1H3,(H,24,25).
What are the key properties of N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide?
N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 407.41 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19495087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).