N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide

C17H19F2NO3S — CID 55612240

IUPACN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
SMILESCCOc1cc(CN(C)C(=O)c2ccc(C)s2)ccc1OC(F)F
InChIInChI=1S/C17H19F2NO3S/c1-4-22-14-9-12(6-7-13(14)23-17(18)19)10-20(3)16(21)15-8-5-11(2)24-15/h5-9,17H,4,10H2,1-3H3
InChIKeyYERMCGWCSVTZJU-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.33
Rot. Bonds7

About N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide (PubChem CID 55612240) has the molecular formula C17H19F2NO3S and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
PubChem CID55612240
Molecular FormulaC17H19F2NO3S
Molecular Weight355.41 g/mol
Exact Mass355.11
IUPAC NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
SMILESCCOc1cc(CN(C)C(=O)c2ccc(C)s2)ccc1OC(F)F
InChIInChI=1S/C17H19F2NO3S/c1-4-22-14-9-12(6-7-13(14)23-17(18)19)10-20(3)16(21)15-8-5-11(2)24-15/h5-9,17H,4,10H2,1-3H3
InChIKeyYERMCGWCSVTZJU-UHFFFAOYSA-N
XLogP4.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-fluoro-N,2-dimethylbenzamide
CID 55612338
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride
CID 119285906
N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine
CID 55104178
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide
CID 55612210
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-fluoro-N,4-dimethyl-5-nitrobenzamide
CID 55775039
4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120588496
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-2-phenylsulfanylacetamide
CID 55612167
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-(2,3-dimethylphenoxy)-N-methylpropanamide
CID 55612138
3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119949697
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol
CID 51080580
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119717164
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine
CID 51078381

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide (CID 55612240) is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide is CCOc1cc(CN(C)C(=O)c2ccc(C)s2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide?
The InChIKey is YERMCGWCSVTZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO3S/c1-4-22-14-9-12(6-7-13(14)23-17(18)19)10-20(3)16(21)15-8-5-11(2)24-15/h5-9,17H,4,10H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide?
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 55612240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).