2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide

C16H20ClN3OS — CID 135105460

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide
SMILESCCc1nccn1CCNC(=O)CSCc1ccccc1Cl
InChIInChI=1S/C16H20ClN3OS/c1-2-15-18-7-9-20(15)10-8-19-16(21)12-22-11-13-5-3-4-6-14(13)17/h3-7,9H,2,8,10-12H2,1H3,(H,19,21)
InChIKeyHGIMJBJVXPGTHC-UHFFFAOYSA-N
MW337.88 g/mol
LogP3.15
Rot. Bonds8

About 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide

2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide (PubChem CID 135105460) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide
PubChem CID135105460
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide
SMILESCCc1nccn1CCNC(=O)CSCc1ccccc1Cl
InChIInChI=1S/C16H20ClN3OS/c1-2-15-18-7-9-20(15)10-8-19-16(21)12-22-11-13-5-3-4-6-14(13)17/h3-7,9H,2,8,10-12H2,1H3,(H,19,21)
InChIKeyHGIMJBJVXPGTHC-UHFFFAOYSA-N
XLogP3.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Chloro-phenyl)-N-(3-imidazol-1-yl-propyl)-acrylamide
CID 5766212
3-(2,6-dichlorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]acrylamide
CID 5736722
(2E)-3-(4-chlorophenyl)-N-(3-imidazolylpropyl)prop-2-enamide
CID 5862903
2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-methylacetamide
CID 7151062
N-Benzyl-2-({1-[(4-chlorophenyl)methyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7151065
3-(4-chlorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)prop-2-enamide
CID 72052082
N-(3-imidazol-1-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 4963695
2-[(5Z)-5-(2-chlorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]acetamide
CID 6237186
N-[(2-Chlorophenyl)methyl]-2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7151028
2-({1-[(4-Chlorophenyl)methyl]-1H-imidazol-2-YL}sulfanyl)-N-cyclopentylacetamide
CID 16031981
2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 7150982
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-methylsulfonylpropanamide
CID 72133795

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide (CID 135105460) is 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide is CCc1nccn1CCNC(=O)CSCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide?
The InChIKey is HGIMJBJVXPGTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS/c1-2-15-18-7-9-20(15)10-8-19-16(21)12-22-11-13-5-3-4-6-14(13)17/h3-7,9H,2,8,10-12H2,1H3,(H,19,21).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide has a molecular weight of 337.88 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 135105460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).