4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide

C20H17NO2S — CID 17431646

IUPAC4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1cccs1
InChIInChI=1S/C20H17NO2S/c1-14(18-8-5-13-24-18)21-20(23)17-11-9-16(10-12-17)19(22)15-6-3-2-4-7-15/h2-14H,1H3,(H,21,23)
InChIKeyUWZGHSXJUKKEGX-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.47
Rot. Bonds5

About 4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide

4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 17431646) has the molecular formula C20H17NO2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID17431646
Molecular FormulaC20H17NO2S
Molecular Weight335.43 g/mol
Exact Mass335.10
IUPAC Name4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1cccs1
InChIInChI=1S/C20H17NO2S/c1-14(18-8-5-13-24-18)21-20(23)17-11-9-16(10-12-17)19(22)15-6-3-2-4-7-15/h2-14H,1H3,(H,21,23)
InChIKeyUWZGHSXJUKKEGX-UHFFFAOYSA-N
XLogP4.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 62241392
3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060
4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81407811
3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 7742328
4-(dimethylsulfamoyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918075
4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40513318
4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81408416
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558
6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 66462490

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide (CID 17431646) is 4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide is CC(NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1cccs1.
What is the InChIKey of 4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is UWZGHSXJUKKEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2S/c1-14(18-8-5-13-24-18)21-20(23)17-11-9-16(10-12-17)19(22)15-6-3-2-4-7-15/h2-14H,1H3,(H,21,23).
What are the key properties of 4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide?
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 335.43 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 17431646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).