N-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide

C21H28N4O3S — CID 18571099

IUPACN-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NC2CCCC2)c(C)c1
InChIInChI=1S/C21H28N4O3S/c1-14-7-8-18(15(2)9-14)24-20(28)13-29-21-22-10-17(12-26)25(21)11-19(27)23-16-5-3-4-6-16/h7-10,16,26H,3-6,11-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyCOOKQLJXLRBYOM-UHFFFAOYSA-N
MW416.55 g/mol
LogP2.78
Rot. Bonds8

About N-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide

N-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide (PubChem CID 18571099) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
PubChem CID18571099
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC NameN-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NC2CCCC2)c(C)c1
InChIInChI=1S/C21H28N4O3S/c1-14-7-8-18(15(2)9-14)24-20(28)13-29-21-22-10-17(12-26)25(21)11-19(27)23-16-5-3-4-6-16/h7-10,16,26H,3-6,11-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyCOOKQLJXLRBYOM-UHFFFAOYSA-N
XLogP2.78
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 27486670
N-cyclopropyl-2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 18571000
N-cyclopentyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 18571102
2-[2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-cyclopentylacetamide
CID 41342210
2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-cyclopentylacetamide
CID 41342211
N-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 41342203
2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide
CID 22576257
N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 66151271
N-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide
CID 18571134
2-(cyclohexylcarbamoylamino)-N-(2,4-dimethylphenyl)acetamide
CID 112996389
N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 66151889
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 18098914

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide (CID 18571099) is N-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide is Cc1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NC2CCCC2)c(C)c1.
What is the InChIKey of N-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide?
The InChIKey is COOKQLJXLRBYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-14-7-8-18(15(2)9-14)24-20(28)13-29-21-22-10-17(12-26)25(21)11-19(27)23-16-5-3-4-6-16/h7-10,16,26H,3-6,11-13H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide?
N-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide has a molecular weight of 416.55 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 18571099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).