2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide

C18H27BrN2O4S — CID 30219885

IUPAC2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCOC1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C18H27BrN2O4S/c1-26(23,24)21(16-8-5-7-15(19)13-16)14-18(22)20-11-6-12-25-17-9-3-2-4-10-17/h5,7-8,13,17H,2-4,6,9-12,14H2,1H3,(H,20,22)
InChIKeyRYRRWUJAJXRWNN-UHFFFAOYSA-N
MW447.40 g/mol
LogP3.07
Rot. Bonds9

About 2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide

2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide (PubChem CID 30219885) has the molecular formula C18H27BrN2O4S and a molecular weight of 447.40 g/mol. Its IUPAC name is 2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
PubChem CID30219885
Molecular FormulaC18H27BrN2O4S
Molecular Weight447.40 g/mol
Exact Mass446.09
IUPAC Name2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCOC1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C18H27BrN2O4S/c1-26(23,24)21(16-8-5-7-15(19)13-16)14-18(22)20-11-6-12-25-17-9-3-2-4-10-17/h5,7-8,13,17H,2-4,6,9-12,14H2,1H3,(H,20,22)
InChIKeyRYRRWUJAJXRWNN-UHFFFAOYSA-N
XLogP3.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.40
LogP ≤ 53.07
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
N-(3-cyclopentyloxypropyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 30243973
N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 30219122
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30219781
N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 30224429
N-(3-cyclohexyloxypropyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 30248301
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174863
2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide
CID 1000068
2-(3-bromo-N-methylsulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30219855
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30213850
2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide
CID 999619
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyclopentyloxypropyl)acetamide
CID 30222862

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide?
The IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide (CID 30219885) is 2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide.
What is the SMILES notation for 2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide?
The canonical SMILES for 2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide is CS(=O)(=O)N(CC(=O)NCCCOC1CCCCC1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide?
The InChIKey is RYRRWUJAJXRWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O4S/c1-26(23,24)21(16-8-5-7-15(19)13-16)14-18(22)20-11-6-12-25-17-9-3-2-4-10-17/h5,7-8,13,17H,2-4,6,9-12,14H2,1H3,(H,20,22).
What are the key properties of 2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide?
2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide has a molecular weight of 447.40 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide is sourced from PubChem (CID 30219885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).