N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

C22H30N2O4S — CID 30224429

IUPACN-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCOC1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C22H30N2O4S/c1-29(26,27)24(21-14-7-10-18-9-5-6-13-20(18)21)17-22(25)23-15-8-16-28-19-11-3-2-4-12-19/h5-7,9-10,13-14,19H,2-4,8,11-12,15-17H2,1H3,(H,23,25)
InChIKeySKDCEZVCWSJODG-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.46
Rot. Bonds9

About N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (PubChem CID 30224429) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
PubChem CID30224429
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCOC1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C22H30N2O4S/c1-29(26,27)24(21-14-7-10-18-9-5-6-13-20(18)21)17-22(25)23-15-8-16-28-19-11-3-2-4-12-19/h5-7,9-10,13-14,19H,2-4,8,11-12,15-17H2,1H3,(H,23,25)
InChIKeySKDCEZVCWSJODG-UHFFFAOYSA-N
XLogP3.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.46
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

2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30219885
N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 126130247
N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217888
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30219781
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyclopentyloxypropyl)acetamide
CID 30222862
N-(3-cyclopentyloxypropyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 30243973
N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 30219122
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-[2-(4-methylphenoxy)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 30224282
N-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 100710859
N-(3-cyclohexyloxypropyl)-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide
CID 30247882

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (CID 30224429) is N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is CS(=O)(=O)N(CC(=O)NCCCOC1CCCCC1)c1cccc2ccccc12.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The InChIKey is SKDCEZVCWSJODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-29(26,27)24(21-14-7-10-18-9-5-6-13-20(18)21)17-22(25)23-15-8-16-28-19-11-3-2-4-12-19/h5-7,9-10,13-14,19H,2-4,8,11-12,15-17H2,1H3,(H,23,25).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide has a molecular weight of 418.56 g/mol, XLogP of 3.46, 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-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is sourced from PubChem (CID 30224429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).