3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide

C14H14ClNOS — CID 4035024

IUPAC3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1cccs1)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClNOS/c1-10(8-13-6-3-7-18-13)16-14(17)11-4-2-5-12(15)9-11/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyDFHDOCAKFAMCND-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.76
Rot. Bonds4

About 3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide

3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 4035024) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID4035024
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1cccs1)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClNOS/c1-10(8-13-6-3-7-18-13)16-14(17)11-4-2-5-12(15)9-11/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyDFHDOCAKFAMCND-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
3-chloro-N-(2-methyl-1,3-dithian-5-yl)benzamide
CID 2805617
4-chloro-N-(2-methyl-1,3-dithian-5-yl)benzamide
CID 2805620
3-chloro-N-tetrahydro-3-thiophenylbenzamide
CID 2805655
Thiophene-2-carboxylic acid [2-(4-chloro-phenyl)-2-oxo-ethyl]-amide
CID 856372
4-chloro-N-[2-(2-thienyl)ethyl]benzamide
CID 2732263
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
Dipeptidyl nitrile inhibitor, 22
CID 44224132
N-[(1R)-2-amino-1-phenylethyl]-5-(2-chlorophenyl)-2-methylthiophene-3-carboxamide
CID 129012089

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide (CID 4035024) is 3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide is CC(Cc1cccs1)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is DFHDOCAKFAMCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-10(8-13-6-3-7-18-13)16-14(17)11-4-2-5-12(15)9-11/h2-7,9-10H,8H2,1H3,(H,16,17).
What are the key properties of 3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 279.79 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 4035024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).