N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide

C17H26N4O3S — CID 20947071

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)NCCC1=CCCCC1
InChIInChI=1S/C17H26N4O3S/c22-16(18-9-8-15-6-2-1-3-7-15)12-20-13-17(19-14-20)25(23,24)21-10-4-5-11-21/h6,13-14H,1-5,7-12H2,(H,18,22)
InChIKeyARNOVCPJOJMXGM-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.67
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 20947071) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
PubChem CID20947071
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)NCCC1=CCCCC1
InChIInChI=1S/C17H26N4O3S/c22-16(18-9-8-15-6-2-1-3-7-15)12-20-13-17(19-14-20)25(23,24)21-10-4-5-11-21/h6,13-14H,1-5,7-12H2,(H,18,22)
InChIKeyARNOVCPJOJMXGM-UHFFFAOYSA-N
XLogP1.67
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18108486
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 92647652
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 75526882
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
CID 50767660
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684654
N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859102
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20949449
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 109014698
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 115458989
N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
CID 3236723

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide (CID 20947071) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide is O=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is ARNOVCPJOJMXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c22-16(18-9-8-15-6-2-1-3-7-15)12-20-13-17(19-14-20)25(23,24)21-10-4-5-11-21/h6,13-14H,1-5,7-12H2,(H,18,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 20947071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).