N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide

C18H28N2O4S — CID 30217888

IUPACN-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)NCCCOC2CCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C18H28N2O4S/c1-15-7-5-8-16(13-15)20(25(2,22)23)14-18(21)19-11-6-12-24-17-9-3-4-10-17/h5,7-8,13,17H,3-4,6,9-12,14H2,1-2H3,(H,19,21)
InChIKeySTFMTXZOUUJXLL-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.23
Rot. Bonds9

About N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide

N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 30217888) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
PubChem CID30217888
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)NCCCOC2CCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C18H28N2O4S/c1-15-7-5-8-16(13-15)20(25(2,22)23)14-18(21)19-11-6-12-24-17-9-3-4-10-17/h5,7-8,13,17H,3-4,6,9-12,14H2,1-2H3,(H,19,21)
InChIKeySTFMTXZOUUJXLL-UHFFFAOYSA-N
XLogP2.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.23
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-(3-cyclopentyloxypropyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 30243973
N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 30219122
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174863
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30219781
N-(3-cyclohexylsulfanylpropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217868
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30213850
N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 30224429
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyclopentyloxypropyl)acetamide
CID 30222862
N-(2-cyclohexylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 126032115
N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 30215284
N-(3-cyclohexyloxypropyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 30248301

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide (CID 30217888) is N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide is Cc1cccc(N(CC(=O)NCCCOC2CCCC2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is STFMTXZOUUJXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-15-7-5-8-16(13-15)20(25(2,22)23)14-18(21)19-11-6-12-24-17-9-3-4-10-17/h5,7-8,13,17H,3-4,6,9-12,14H2,1-2H3,(H,19,21).
What are the key properties of N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 368.50 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30217888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).