N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide

C20H17F2NO3S — CID 46674438

IUPACN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3sccc3C)ccc2OC(F)F)cc1
InChIInChI=1S/C20H17F2NO3S/c1-12-9-10-27-18(12)19(24)23-14-5-8-17(26-20(21)22)16(11-14)13-3-6-15(25-2)7-4-13/h3-11,20H,1-2H3,(H,23,24)
InChIKeyKPLLWDVJXRELKX-UHFFFAOYSA-N
MW389.42 g/mol
LogP5.59
Rot. Bonds6

About N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 46674438) has the molecular formula C20H17F2NO3S and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide
PubChem CID46674438
Molecular FormulaC20H17F2NO3S
Molecular Weight389.42 g/mol
Exact Mass389.09
IUPAC NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3sccc3C)ccc2OC(F)F)cc1
InChIInChI=1S/C20H17F2NO3S/c1-12-9-10-27-18(12)19(24)23-14-5-8-17(26-20(21)22)16(11-14)13-3-6-15(25-2)7-4-13/h3-11,20H,1-2H3,(H,23,24)
InChIKeyKPLLWDVJXRELKX-UHFFFAOYSA-N
XLogP5.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.42
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-fluoro-4-methoxybenzamide
CID 24513384
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 55369373
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylbutanamide
CID 24576079
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 46813370
4-amino-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-nitrobenzamide
CID 37040670
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 37040728
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24576066
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 37040678
(2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide
CID 51939888
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 24597982
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 26703269
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-(methylamino)-3-nitrobenzamide
CID 46674453

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide (CID 46674438) is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide is COc1ccc(-c2cc(NC(=O)c3sccc3C)ccc2OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is KPLLWDVJXRELKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3S/c1-12-9-10-27-18(12)19(24)23-14-5-8-17(26-20(21)22)16(11-14)13-3-6-15(25-2)7-4-13/h3-11,20H,1-2H3,(H,23,24).
What are the key properties of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide?
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 46674438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).