N,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide

C18H29N3OS — CID 2997942

IUPACN,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H29N3OS/c1-20-13-12-19-18(20)23-14-17(22)21(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h12-13,15-16H,2-11,14H2,1H3
InChIKeyJRSWBKAZGSLQMZ-UHFFFAOYSA-N
MW335.52 g/mol
LogP4.01
Rot. Bonds5

About N,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide

N,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 2997942) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID2997942
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC NameN,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H29N3OS/c1-20-13-12-19-18(20)23-14-17(22)21(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h12-13,15-16H,2-11,14H2,1H3
InChIKeyJRSWBKAZGSLQMZ-UHFFFAOYSA-N
XLogP4.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 6460530
N-cyclohexyl-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2997769
N-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 39074209
1-(Azetidin-1-yl)-2-(1-propylimidazol-2-yl)sulfanylethanone
CID 40009299
1-(3-Imidazol-1-ylpiperidin-1-yl)-3-methylsulfanylpropan-1-one
CID 53595147
2-Methylsulfanyl-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779778
1-(2,6-Dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 4548905
N-cyclohexyl-2-((1-cyclopentyl-1H-imidazol-2-yl)thio)acetamide
CID 40691855
1-[2-(1-Ethylimidazol-2-yl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 177681133
2-(1-Methylimidazol-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 4064035
N-cyclopentyl-2-((1-cyclopentyl-1H-imidazol-2-yl)thio)acetamide
CID 40691854
N-[(1S)-1-cyclopropylethyl]-2-(1-methylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 40093531

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 2997942) is N,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is JRSWBKAZGSLQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-20-13-12-19-18(20)23-14-17(22)21(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h12-13,15-16H,2-11,14H2,1H3.
What are the key properties of N,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 335.52 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 2997942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).