N-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide

C24H36N4O3S — CID 159621088

IUPACN-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide
SMILES[H]/N=C1\N(C2CCCC2)CCN1S(=O)(=O)c1ccc(CCNC(=O)C2(C)CCCCC2)cc1
InChIInChI=1S/C24H36N4O3S/c1-24(14-5-2-6-15-24)22(29)26-16-13-19-9-11-21(12-10-19)32(30,31)28-18-17-27(23(28)25)20-7-3-4-8-20/h9-12,20,25H,2-8,13-18H2,1H3,(H,26,29)/b25-23+
InChIKeyMNWYOZIAIRQJSX-WJTDDFOZSA-N
MW460.64 g/mol
LogP3.50
Rot. Bonds7

About N-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide

N-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 159621088) has the molecular formula C24H36N4O3S and a molecular weight of 460.64 g/mol. Its IUPAC name is N-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide
PubChem CID159621088
Molecular FormulaC24H36N4O3S
Molecular Weight460.64 g/mol
Exact Mass460.25
IUPAC NameN-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide
SMILES[H]/N=C1\N(C2CCCC2)CCN1S(=O)(=O)c1ccc(CCNC(=O)C2(C)CCCCC2)cc1
InChIInChI=1S/C24H36N4O3S/c1-24(14-5-2-6-15-24)22(29)26-16-13-19-9-11-21(12-10-19)32(30,31)28-18-17-27(23(28)25)20-7-3-4-8-20/h9-12,20,25H,2-8,13-18H2,1H3,(H,26,29)/b25-23+
InChIKeyMNWYOZIAIRQJSX-WJTDDFOZSA-N
XLogP3.50
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.64
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-2-methylbenzamide
CID 13155035
1-butyl-3-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]thiourea
CID 13147604
N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide
CID 13155039
N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]thiophene-2-carboxamide
CID 13155046
(E)-N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]but-2-en-1-amine;hydrochloride
CID 20836383
N-[2-[4-[2-imino-3-(2-methylcyclohexyl)imidazolidin-1-yl]sulfonylphenyl]ethyl]-3,4-dimethoxybenzamide
CID 163919906
1-methyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909729
N-[2-[4-(3-tert-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide
CID 163606352
N-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide
CID 154085320
N-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]pentanamide
CID 154093984
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 171793117
N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide
CID 30148136

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide (CID 159621088) is N-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide is [H]/N=C1\N(C2CCCC2)CCN1S(=O)(=O)c1ccc(CCNC(=O)C2(C)CCCCC2)cc1.
What is the InChIKey of N-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is MNWYOZIAIRQJSX-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H36N4O3S/c1-24(14-5-2-6-15-24)22(29)26-16-13-19-9-11-21(12-10-19)32(30,31)28-18-17-27(23(28)25)20-7-3-4-8-20/h9-12,20,25H,2-8,13-18H2,1H3,(H,26,29)/b25-23+.
What are the key properties of N-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide?
N-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 460.64 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 159621088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).