N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide

C18H19ClF3N3OS — CID 22585470

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1C1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H19ClF3N3OS/c19-14-7-6-12(18(20,21)22)10-15(14)24-16(26)11-27-17-23-8-9-25(17)13-4-2-1-3-5-13/h6-10,13H,1-5,11H2,(H,24,26)
InChIKeyFPFAEQTZXQEGMQ-UHFFFAOYSA-N
MW417.88 g/mol
LogP5.79
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide (PubChem CID 22585470) has the molecular formula C18H19ClF3N3OS and a molecular weight of 417.88 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
PubChem CID22585470
Molecular FormulaC18H19ClF3N3OS
Molecular Weight417.88 g/mol
Exact Mass417.09
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1C1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H19ClF3N3OS/c19-14-7-6-12(18(20,21)22)10-15(14)24-16(26)11-27-17-23-8-9-25(17)13-4-2-1-3-5-13/h6-10,13H,1-5,11H2,(H,24,26)
InChIKeyFPFAEQTZXQEGMQ-UHFFFAOYSA-N
XLogP5.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.88
LogP ≤ 55.79
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
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 5183580
N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585466
2-[2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-cyclopentylacetamide
CID 41342210
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16502743
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 5223295
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2207657
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 22585465
3-[3-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide
CID 31039064
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3581742
2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585437
2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 722242

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide (CID 22585470) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide is O=C(CSc1nccn1C1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide?
The InChIKey is FPFAEQTZXQEGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3OS/c19-14-7-6-12(18(20,21)22)10-15(14)24-16(26)11-27-17-23-8-9-25(17)13-4-2-1-3-5-13/h6-10,13H,1-5,11H2,(H,24,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide has a molecular weight of 417.88 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 22585470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).