N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide

C25H32N4O4S — CID 13155039

IUPACN-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide
SMILES[H]/N=C1\N(C2CCCCC2)CCN1S(=O)(=O)c1ccc(CCNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H32N4O4S/c1-33-22-11-9-20(10-12-22)24(30)27-16-15-19-7-13-23(14-8-19)34(31,32)29-18-17-28(25(29)26)21-5-3-2-4-6-21/h7-14,21,26H,2-6,15-18H2,1H3,(H,27,30)/b26-25+
InChIKeyVFQFRQPAWYMJNG-OCEACIFDSA-N
MW484.62 g/mol
LogP3.24
Rot. Bonds8

About N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide

N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide (PubChem CID 13155039) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide
PubChem CID13155039
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC NameN-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide
SMILES[H]/N=C1\N(C2CCCCC2)CCN1S(=O)(=O)c1ccc(CCNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H32N4O4S/c1-33-22-11-9-20(10-12-22)24(30)27-16-15-19-7-13-23(14-8-19)34(31,32)29-18-17-28(25(29)26)21-5-3-2-4-6-21/h7-14,21,26H,2-6,15-18H2,1H3,(H,27,30)/b26-25+
InChIKeyVFQFRQPAWYMJNG-OCEACIFDSA-N
XLogP3.24
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
N-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide
CID 159621088
N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]thiophene-2-carboxamide
CID 13155046
N-[2-[4-[2-imino-3-(2-methylcyclohexyl)imidazolidin-1-yl]sulfonylphenyl]ethyl]-3,4-dimethoxybenzamide
CID 163919906
1-butyl-3-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]thiourea
CID 13147604
(E)-N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]but-2-en-1-amine;hydrochloride
CID 20836383
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
4-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 46431882
3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125401
N-[2-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99959532
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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide (CID 13155039) is N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide is [H]/N=C1\N(C2CCCCC2)CCN1S(=O)(=O)c1ccc(CCNC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide?
The InChIKey is VFQFRQPAWYMJNG-OCEACIFDSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-33-22-11-9-20(10-12-22)24(30)27-16-15-19-7-13-23(14-8-19)34(31,32)29-18-17-28(25(29)26)21-5-3-2-4-6-21/h7-14,21,26H,2-6,15-18H2,1H3,(H,27,30)/b26-25+.
What are the key properties of N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide?
N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide has a molecular weight of 484.62 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 13155039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).