N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide

C15H17NOS — CID 47161409

IUPACN-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2ccsc2)c(C)c1
InChIInChI=1S/C15H17NOS/c1-10-6-11(2)14(12(3)7-10)8-16-15(17)13-4-5-18-9-13/h4-7,9H,8H2,1-3H3,(H,16,17)
InChIKeyNGGYBKXKOHXSFA-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.60
Rot. Bonds3

About N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide

N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide (PubChem CID 47161409) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide
PubChem CID47161409
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2ccsc2)c(C)c1
InChIInChI=1S/C15H17NOS/c1-10-6-11(2)14(12(3)7-10)8-16-15(17)13-4-5-18-9-13/h4-7,9H,8H2,1-3H3,(H,16,17)
InChIKeyNGGYBKXKOHXSFA-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
CID 47148514
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide
CID 47345026
N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 107233527
N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide
CID 47183552
N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55204660
N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 55455739
N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 37358196
N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide
CID 51429705
N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide
CID 62950632

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide (CID 47161409) is N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide is Cc1cc(C)c(CNC(=O)c2ccsc2)c(C)c1.
What is the InChIKey of N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide?
The InChIKey is NGGYBKXKOHXSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-10-6-11(2)14(12(3)7-10)8-16-15(17)13-4-5-18-9-13/h4-7,9H,8H2,1-3H3,(H,16,17).
What are the key properties of N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide?
N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide has a molecular weight of 259.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 47161409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).