N-[(5-acetylthiophen-2-yl)methyl]benzamide

C14H13NO2S — CID 102052136

IUPACN-[(5-acetylthiophen-2-yl)methyl]benzamide
SMILESCC(=O)c1ccc(CNC(=O)c2ccccc2)s1
InChIInChI=1S/C14H13NO2S/c1-10(16)13-8-7-12(18-13)9-15-14(17)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,17)
InChIKeyIXWIOCFRDDRHEY-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.88
Rot. Bonds4

About N-[(5-acetylthiophen-2-yl)methyl]benzamide

N-[(5-acetylthiophen-2-yl)methyl]benzamide (PubChem CID 102052136) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(5-acetylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(5-acetylthiophen-2-yl)methyl]benzamide
PubChem CID102052136
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC NameN-[(5-acetylthiophen-2-yl)methyl]benzamide
SMILESCC(=O)c1ccc(CNC(=O)c2ccccc2)s1
InChIInChI=1S/C14H13NO2S/c1-10(16)13-8-7-12(18-13)9-15-14(17)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,17)
InChIKeyIXWIOCFRDDRHEY-UHFFFAOYSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide
CID 90612882
5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid
CID 11392290
5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110563
5-[[(4-propan-2-ylbenzoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110529
methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate
CID 90612849
5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110606
N-[(5-benzoylthiophen-2-yl)methyl]-3-nitrobenzamide
CID 90612908
5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110764
1-[(5-benzoylthiophen-2-yl)methyl]-3-propan-2-ylurea
CID 90613156
methyl 4-[2-(5-acetylthiophen-2-yl)ethylcarbamoyl]benzoate
CID 91817348
N-[[5-(phenylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823706
N-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53125965

Frequently Asked Questions

What is the IUPAC name of N-[(5-acetylthiophen-2-yl)methyl]benzamide?
The IUPAC name of N-[(5-acetylthiophen-2-yl)methyl]benzamide (CID 102052136) is N-[(5-acetylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(5-acetylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for N-[(5-acetylthiophen-2-yl)methyl]benzamide is CC(=O)c1ccc(CNC(=O)c2ccccc2)s1.
What is the InChIKey of N-[(5-acetylthiophen-2-yl)methyl]benzamide?
The InChIKey is IXWIOCFRDDRHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-10(16)13-8-7-12(18-13)9-15-14(17)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of N-[(5-acetylthiophen-2-yl)methyl]benzamide?
N-[(5-acetylthiophen-2-yl)methyl]benzamide has a molecular weight of 259.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 102052136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).