N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide

C21H19F2NO3S — CID 19498820

IUPACN-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1ccc(OC(F)F)c(NC(=O)c2cc(COc3ccccc3C)cs2)c1
InChIInChI=1S/C21H19F2NO3S/c1-13-7-8-18(27-21(22)23)16(9-13)24-20(25)19-10-15(12-28-19)11-26-17-6-4-3-5-14(17)2/h3-10,12,21H,11H2,1-2H3,(H,24,25)
InChIKeyYVFYDWSXQGIOSC-UHFFFAOYSA-N
MW403.45 g/mol
LogP5.80
Rot. Bonds7

About N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide

N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19498820) has the molecular formula C21H19F2NO3S and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19498820
Molecular FormulaC21H19F2NO3S
Molecular Weight403.45 g/mol
Exact Mass403.11
IUPAC NameN-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1ccc(OC(F)F)c(NC(=O)c2cc(COc3ccccc3C)cs2)c1
InChIInChI=1S/C21H19F2NO3S/c1-13-7-8-18(27-21(22)23)16(9-13)24-20(25)19-10-15(12-28-19)11-26-17-6-4-3-5-14(17)2/h3-10,12,21H,11H2,1-2H3,(H,24,25)
InChIKeyYVFYDWSXQGIOSC-UHFFFAOYSA-N
XLogP5.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.45
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495087
N-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490937
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483618
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471677
N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498796
4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 19483536
N-(2-methoxy-5-methylphenyl)-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide
CID 19484703
4-[(2,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19471555
N-[2-(difluoromethoxy)-4-fluorophenyl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19490756
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19495311

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide (CID 19498820) is N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide is Cc1ccc(OC(F)F)c(NC(=O)c2cc(COc3ccccc3C)cs2)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is YVFYDWSXQGIOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO3S/c1-13-7-8-18(27-21(22)23)16(9-13)24-20(25)19-10-15(12-28-19)11-26-17-6-4-3-5-14(17)2/h3-10,12,21H,11H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide?
N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19498820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).