N-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide

C17H21N3O5S — CID 8594127

IUPACN-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)n2ccn(CC(=O)NC3CCCC3)c2=O)cc1
InChIInChI=1S/C17H21N3O5S/c1-25-14-6-8-15(9-7-14)26(23,24)20-11-10-19(17(20)22)12-16(21)18-13-4-2-3-5-13/h6-11,13H,2-5,12H2,1H3,(H,18,21)
InChIKeyCKMYYUFFPNFTRS-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.95
Rot. Bonds6

About N-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide

N-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide (PubChem CID 8594127) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide
PubChem CID8594127
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC NameN-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)n2ccn(CC(=O)NC3CCCC3)c2=O)cc1
InChIInChI=1S/C17H21N3O5S/c1-25-14-6-8-15(9-7-14)26(23,24)20-11-10-19(17(20)22)12-16(21)18-13-4-2-3-5-13/h6-11,13H,2-5,12H2,1H3,(H,18,21)
InChIKeyCKMYYUFFPNFTRS-UHFFFAOYSA-N
XLogP0.95
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 52920699
2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 8594158
N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 17376128
N-cycloheptyl-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16826844
1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
CID 8593908
ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate
CID 8593958
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
N-cyclohexyl-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624888
N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 31344259
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
N-cyclohexyl-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1100054
7-(4-methoxyphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
CID 11737230

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide (CID 8594127) is N-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide is COc1ccc(S(=O)(=O)n2ccn(CC(=O)NC3CCCC3)c2=O)cc1.
What is the InChIKey of N-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide?
The InChIKey is CKMYYUFFPNFTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-25-14-6-8-15(9-7-14)26(23,24)20-11-10-19(17(20)22)12-16(21)18-13-4-2-3-5-13/h6-11,13H,2-5,12H2,1H3,(H,18,21).
What are the key properties of N-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide?
N-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide has a molecular weight of 379.44 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide is sourced from PubChem (CID 8594127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).