N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide

C20H32N2O4S — CID 30219122

IUPACN-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)cc(N(CC(=O)NCCCOC2CCCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C20H32N2O4S/c1-16-12-17(2)14-18(13-16)22(27(3,24)25)15-20(23)21-10-7-11-26-19-8-5-4-6-9-19/h12-14,19H,4-11,15H2,1-3H3,(H,21,23)
InChIKeyYBTIZZHEHBGUHQ-UHFFFAOYSA-N
MW396.55 g/mol
LogP2.93
Rot. Bonds9

About N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide

N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 30219122) has the molecular formula C20H32N2O4S and a molecular weight of 396.55 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID30219122
Molecular FormulaC20H32N2O4S
Molecular Weight396.55 g/mol
Exact Mass396.21
IUPAC NameN-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)cc(N(CC(=O)NCCCOC2CCCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C20H32N2O4S/c1-16-12-17(2)14-18(13-16)22(27(3,24)25)15-20(23)21-10-7-11-26-19-8-5-4-6-9-19/h12-14,19H,4-11,15H2,1-3H3,(H,21,23)
InChIKeyYBTIZZHEHBGUHQ-UHFFFAOYSA-N
XLogP2.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217888
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30219781
2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30219885
N-(3-cyclopentyloxypropyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 30243973
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyclopentyloxypropyl)acetamide
CID 30222862
N-(3-cyclohexyloxypropyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 30248301
N-(3-cyclohexyloxypropyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 30254610
N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 30224429
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174863
N-(3-cyclohexyloxypropyl)-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide
CID 30247882
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30213850
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3-cyclohexyloxypropyl)acetamide
CID 30205047

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide (CID 30219122) is N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide is Cc1cc(C)cc(N(CC(=O)NCCCOC2CCCCC2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is YBTIZZHEHBGUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S/c1-16-12-17(2)14-18(13-16)22(27(3,24)25)15-20(23)21-10-7-11-26-19-8-5-4-6-9-19/h12-14,19H,4-11,15H2,1-3H3,(H,21,23).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide?
N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 396.55 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30219122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).