3-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide

C14H14ClNOS — CID 134792264

IUPAC3-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(c1cccs1)N(C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClNOS/c1-10(13-7-4-8-18-13)16(2)14(17)11-5-3-6-12(15)9-11/h3-10H,1-2H3
InChIKeyQOUFEHJSNIHEDS-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.23
Rot. Bonds3

About 3-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide

3-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 134792264) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID134792264
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name3-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(c1cccs1)N(C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClNOS/c1-10(13-7-4-8-18-13)16(2)14(17)11-5-3-6-12(15)9-11/h3-10H,1-2H3
InChIKeyQOUFEHJSNIHEDS-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide (CID 134792264) is 3-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide is CC(c1cccs1)N(C)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is QOUFEHJSNIHEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-10(13-7-4-8-18-13)16(2)14(17)11-5-3-6-12(15)9-11/h3-10H,1-2H3.
What are the key properties of 3-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
3-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 279.79 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 134792264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).