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

C20H17F2NO3S — CID 19490937

IUPACN-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(COc3ccccc3)cs2)c(OC(F)F)c1
InChIInChI=1S/C20H17F2NO3S/c1-13-7-8-16(17(9-13)26-20(21)22)23-19(24)18-10-14(12-27-18)11-25-15-5-3-2-4-6-15/h2-10,12,20H,11H2,1H3,(H,23,24)
InChIKeyPFYBRHAVKDZPOT-UHFFFAOYSA-N
MW389.42 g/mol
LogP5.49
Rot. Bonds7

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

N-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide (PubChem CID 19490937) has the molecular formula C20H17F2NO3S and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide
PubChem CID19490937
Molecular FormulaC20H17F2NO3S
Molecular Weight389.42 g/mol
Exact Mass389.09
IUPAC NameN-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(COc3ccccc3)cs2)c(OC(F)F)c1
InChIInChI=1S/C20H17F2NO3S/c1-13-7-8-16(17(9-13)26-20(21)22)23-19(24)18-10-14(12-27-18)11-25-15-5-3-2-4-6-15/h2-10,12,20H,11H2,1H3,(H,23,24)
InChIKeyPFYBRHAVKDZPOT-UHFFFAOYSA-N
XLogP5.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.42
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495087
4-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-carboxamide
CID 19503392
N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498820
N-[2-(difluoromethoxy)-4-fluorophenyl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19490756
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19493011
N-(2,4-dimethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501342
N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469482
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
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]thiophene-2-carboxamide
CID 19494703
N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490853
N-(2,3-dimethylphenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492883

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide (CID 19490937) is N-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc(COc3ccccc3)cs2)c(OC(F)F)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide?
The InChIKey is PFYBRHAVKDZPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3S/c1-13-7-8-16(17(9-13)26-20(21)22)23-19(24)18-10-14(12-27-18)11-25-15-5-3-2-4-6-15/h2-10,12,20H,11H2,1H3,(H,23,24).
What are the key properties of N-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide?
N-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 5.49, 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-(phenoxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19490937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).