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

C15H18ClN3OS — CID 46999333

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-[(1-ethylimidazol-2-yl)methyl]acetamide
SMILESCCn1ccnc1CNC(=O)CSCc1ccccc1Cl
InChIInChI=1S/C15H18ClN3OS/c1-2-19-8-7-17-14(19)9-18-15(20)11-21-10-12-5-3-4-6-13(12)16/h3-8H,2,9-11H2,1H3,(H,18,20)
InChIKeyJMQQKUBXONPDTJ-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.11
Rot. Bonds7

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

2-[(2-chlorophenyl)methylsulfanyl]-N-[(1-ethylimidazol-2-yl)methyl]acetamide (PubChem CID 46999333) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1-ethylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-[(1-ethylimidazol-2-yl)methyl]acetamide
PubChem CID46999333
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-[(1-ethylimidazol-2-yl)methyl]acetamide
SMILESCCn1ccnc1CNC(=O)CSCc1ccccc1Cl
InChIInChI=1S/C15H18ClN3OS/c1-2-19-8-7-17-14(19)9-18-15(20)11-21-10-12-5-3-4-6-13(12)16/h3-8H,2,9-11H2,1H3,(H,18,20)
InChIKeyJMQQKUBXONPDTJ-UHFFFAOYSA-N
XLogP3.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.11
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-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2970578
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-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-[(1-ethylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1-ethylimidazol-2-yl)methyl]acetamide (CID 46999333) is 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1-ethylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1-ethylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1-ethylimidazol-2-yl)methyl]acetamide is CCn1ccnc1CNC(=O)CSCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1-ethylimidazol-2-yl)methyl]acetamide?
The InChIKey is JMQQKUBXONPDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-2-19-8-7-17-14(19)9-18-15(20)11-21-10-12-5-3-4-6-13(12)16/h3-8H,2,9-11H2,1H3,(H,18,20).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1-ethylimidazol-2-yl)methyl]acetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1-ethylimidazol-2-yl)methyl]acetamide has a molecular weight of 323.85 g/mol, XLogP of 3.11, 7 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-[(1-ethylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 46999333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).