N-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide

C23H32N4O5S — CID 41342203

IUPACN-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)CSc2ncc(CO)n2CC(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C23H32N4O5S/c1-31-19-8-7-16(11-20(19)32-2)9-10-24-22(30)15-33-23-25-12-18(14-28)27(23)13-21(29)26-17-5-3-4-6-17/h7-8,11-12,17,28H,3-6,9-10,13-15H2,1-2H3,(H,24,30)(H,26,29)
InChIKeyAEBRRSDFDQPURO-UHFFFAOYSA-N
MW476.60 g/mol
LogP1.90
Rot. Bonds12

About N-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide

N-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide (PubChem CID 41342203) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
PubChem CID41342203
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC NameN-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)CSc2ncc(CO)n2CC(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C23H32N4O5S/c1-31-19-8-7-16(11-20(19)32-2)9-10-24-22(30)15-33-23-25-12-18(14-28)27(23)13-21(29)26-17-5-3-4-6-17/h7-8,11-12,17,28H,3-6,9-10,13-15H2,1-2H3,(H,24,30)(H,26,29)
InChIKeyAEBRRSDFDQPURO-UHFFFAOYSA-N
XLogP1.90
TPSA114.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17440486
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 7042763
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090838
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942
N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108958959
N-ethyl-2-[5-(hydroxymethyl)-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylimidazol-1-yl]acetamide
CID 41341957
3-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclohexylpropanamide
CID 111075449
2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 7196821
2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 3212461
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 111034652
2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 7731000
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3229873

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide (CID 41342203) is N-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide is COc1ccc(CCNC(=O)CSc2ncc(CO)n2CC(=O)NC2CCCC2)cc1OC.
What is the InChIKey of N-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide?
The InChIKey is AEBRRSDFDQPURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S/c1-31-19-8-7-16(11-20(19)32-2)9-10-24-22(30)15-33-23-25-12-18(14-28)27(23)13-21(29)26-17-5-3-4-6-17/h7-8,11-12,17,28H,3-6,9-10,13-15H2,1-2H3,(H,24,30)(H,26,29).
What are the key properties of N-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide?
N-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide has a molecular weight of 476.60 g/mol, XLogP of 1.90, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 41342203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).