N-[(4-methoxyphenyl)methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C16H14F3NO3S — CID 67315084

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(C(=O)C(F)(F)F)s2)cc1
InChIInChI=1S/C16H14F3NO3S/c1-20(9-10-3-5-11(23-2)6-4-10)15(22)13-8-7-12(24-13)14(21)16(17,18)19/h3-8H,9H2,1-2H3
InChIKeyITMCUMKPHPGGPN-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.77
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-[(4-methoxyphenyl)methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 67315084) has the molecular formula C16H14F3NO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID67315084
Molecular FormulaC16H14F3NO3S
Molecular Weight357.35 g/mol
Exact Mass357.06
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(C(=O)C(F)(F)F)s2)cc1
InChIInChI=1S/C16H14F3NO3S/c1-20(9-10-3-5-11(23-2)6-4-10)15(22)13-8-7-12(24-13)14(21)16(17,18)19/h3-8H,9H2,1-2H3
InChIKeyITMCUMKPHPGGPN-UHFFFAOYSA-N
XLogP3.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-5-nitrothiophene-2-carboxamide
CID 31240712
2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 86978699
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide
CID 65269943
2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 79810054
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-sulfanylbenzamide
CID 107024323
3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 59836606
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 78800736
4-[(4-methoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991651
7-methoxy-N-[(4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 124505008

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 67315084) is N-[(4-methoxyphenyl)methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is COc1ccc(CN(C)C(=O)c2ccc(C(=O)C(F)(F)F)s2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is ITMCUMKPHPGGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c1-20(9-10-3-5-11(23-2)6-4-10)15(22)13-8-7-12(24-13)14(21)16(17,18)19/h3-8H,9H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 357.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 67315084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).