2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide

C10H12ClNOS — CID 57036315

IUPAC2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide
SMILESO=C(CCl)NCC(S)c1ccccc1
InChIInChI=1S/C10H12ClNOS/c11-6-10(13)12-7-9(14)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,12,13)
InChIKeyPXDNLIPGGQAXHF-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.01
Rot. Bonds4

About 2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide

2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide (PubChem CID 57036315) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is 2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide
PubChem CID57036315
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Name2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide
SMILESO=C(CCl)NCC(S)c1ccccc1
InChIInChI=1S/C10H12ClNOS/c11-6-10(13)12-7-9(14)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,12,13)
InChIKeyPXDNLIPGGQAXHF-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4,4-diphenylbutyl)acetamide
CID 69448505
N-(3-anilino-3-phenylpropyl)-2-chloroacetamide
CID 13121261
2-chloro-N-(2-phenylpropylcarbamoyl)acetamide
CID 104592070
2-chloro-N-[[hydrazinyl(phenyl)methyl]sulfanylmethyl]acetamide
CID 90704694
ethane-1,2-diol;bis(3-phenyl-3-sulfanylpropanoic acid)
CID 87208179
2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide
CID 124560470
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705
N-(2,2-diphenylethyl)-2-(4-hydroxyphenyl)acetamide
CID 78806805
2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride
CID 146094450
benzyl [3-[(2-chloroacetyl)amino]-2-hydroxypropyl] carbonate
CID 139815139
2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide
CID 146595387
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide?
The IUPAC name of 2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide (CID 57036315) is 2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide is O=C(CCl)NCC(S)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide?
The InChIKey is PXDNLIPGGQAXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS/c11-6-10(13)12-7-9(14)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,12,13).
What are the key properties of 2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide?
2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide has a molecular weight of 229.73 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide is sourced from PubChem (CID 57036315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).