2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylacetamide

C12H14ClNOS — CID 882941

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylacetamide
SMILESO=C(CSCc1ccccc1Cl)NC1CC1
InChIInChI=1S/C12H14ClNOS/c13-11-4-2-1-3-9(11)7-16-8-12(15)14-10-5-6-10/h1-4,10H,5-8H2,(H,14,15)
InChIKeyXWCFCRKQJMSKNP-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.85
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylacetamide

2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylacetamide (PubChem CID 882941) has the molecular formula C12H14ClNOS and a molecular weight of 255.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylacetamide
PubChem CID882941
Molecular FormulaC12H14ClNOS
Molecular Weight255.77 g/mol
Exact Mass255.05
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylacetamide
SMILESO=C(CSCc1ccccc1Cl)NC1CC1
InChIInChI=1S/C12H14ClNOS/c13-11-4-2-1-3-9(11)7-16-8-12(15)14-10-5-6-10/h1-4,10H,5-8H2,(H,14,15)
InChIKeyXWCFCRKQJMSKNP-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-6-fluorobenzyl)thio]-N-(2-phenylethyl)acetamide
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2-[(2-chlorobenzyl)sulfanyl]-N-(propan-2-yl)acetamide
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3-[(3-chlorobenzyl)thio]-N-(2-cyclohex-1-en-1-ylethyl)propanamide
CID 4219378
3-[(2-chlorobenzyl)thio]-N-cyclopentylpropanamide
CID 4615987
3-[(4-chlorobenzyl)thio]-N-cyclopentylpropanamide
CID 5215887
3-[(2-chlorobenzyl)thio]-N-cyclohexylpropanamide
CID 3379555
(2E)-N-(1,1-dioxothiolan-3-yl)-3-(2-chlorophenyl)prop-2-enamide
CID 5334713
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-methylacetamide
CID 848434
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-isopropylacetamide
CID 838666
N-(tert-butyl)-2-[(2,6-dichlorobenzyl)sulfanyl]acetamide
CID 848217
2-[(2,6-dichlorobenzyl)thio]-N-methylacetamide
CID 894324

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylacetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylacetamide (CID 882941) is 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylacetamide is O=C(CSCc1ccccc1Cl)NC1CC1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylacetamide?
The InChIKey is XWCFCRKQJMSKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNOS/c13-11-4-2-1-3-9(11)7-16-8-12(15)14-10-5-6-10/h1-4,10H,5-8H2,(H,14,15).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylacetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylacetamide has a molecular weight of 255.77 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylacetamide is sourced from PubChem (CID 882941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).