2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C14H14ClNOS — CID 110868986

IUPAC2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNOS/c1-16(9-12-6-7-18-10-12)14(17)8-11-2-4-13(15)5-3-11/h2-7,10H,8-9H2,1H3
InChIKeyCPSHSXURYXGQCW-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.60
Rot. Bonds4

About 2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 110868986) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID110868986
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNOS/c1-16(9-12-6-7-18-10-12)14(17)8-11-2-4-13(15)5-3-11/h2-7,10H,8-9H2,1H3
InChIKeyCPSHSXURYXGQCW-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
CID 42852740
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244
5-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 60674455
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 55397033
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 60685569
2,2-diethyl-4-[methyl(thiophen-3-ylmethyl)amino]-4-oxobutanoic acid
CID 43527995
3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 54905173
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8807604
2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61328793
2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 112723558
(E)-3-[5-chloro-2-[methyl(thiophen-3-ylmethyl)amino]phenyl]prop-2-enoic acid
CID 114858150
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 35419885

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 110868986) is 2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is CPSHSXURYXGQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-16(9-12-6-7-18-10-12)14(17)8-11-2-4-13(15)5-3-11/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 279.79 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 110868986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).