N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide

C17H20ClN3OS — CID 22585466

IUPACN-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1C1CCCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H20ClN3OS/c18-13-5-4-6-14(11-13)20-16(22)12-23-17-19-9-10-21(17)15-7-2-1-3-8-15/h4-6,9-11,15H,1-3,7-8,12H2,(H,20,22)
InChIKeyBJMPLPAXHATWCG-UHFFFAOYSA-N
MW349.89 g/mol
LogP4.77
Rot. Bonds5

About N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide

N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide (PubChem CID 22585466) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
PubChem CID22585466
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC NameN-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1C1CCCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H20ClN3OS/c18-13-5-4-6-14(11-13)20-16(22)12-23-17-19-9-10-21(17)15-7-2-1-3-8-15/h4-6,9-11,15H,1-3,7-8,12H2,(H,20,22)
InChIKeyBJMPLPAXHATWCG-UHFFFAOYSA-N
XLogP4.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 22585430
2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
CID 27548780
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide
CID 17449965
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 22585440
N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 16587926
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585470
2-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 2418977
N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 47137410
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 22585465
N-(3-chlorophenyl)-2-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22585503
2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585437

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide (CID 22585466) is N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide is O=C(CSc1nccn1C1CCCCC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide?
The InChIKey is BJMPLPAXHATWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c18-13-5-4-6-14(11-13)20-16(22)12-23-17-19-9-10-21(17)15-7-2-1-3-8-15/h4-6,9-11,15H,1-3,7-8,12H2,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide?
N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide has a molecular weight of 349.89 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 22585466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).