N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide

C22H27NO2S — CID 92677205

IUPACN-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide
SMILESO=C(NC1CCCCCC1)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C22H27NO2S/c24-22(23-19-8-4-1-2-5-9-19)18-12-14-20(15-13-18)25-16-17-26-21-10-6-3-7-11-21/h3,6-7,10-15,19H,1-2,4-5,8-9,16-17H2,(H,23,24)
InChIKeyNSJZVXWKHSAAGI-UHFFFAOYSA-N
MW369.53 g/mol
LogP5.31
Rot. Bonds7

About N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide

N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide (PubChem CID 92677205) has the molecular formula C22H27NO2S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide
PubChem CID92677205
Molecular FormulaC22H27NO2S
Molecular Weight369.53 g/mol
Exact Mass369.18
IUPAC NameN-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide
SMILESO=C(NC1CCCCCC1)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C22H27NO2S/c24-22(23-19-8-4-1-2-5-9-19)18-12-14-20(15-13-18)25-16-17-26-21-10-6-3-7-11-21/h3,6-7,10-15,19H,1-2,4-5,8-9,16-17H2,(H,23,24)
InChIKeyNSJZVXWKHSAAGI-UHFFFAOYSA-N
XLogP5.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-4-propoxybenzamide
CID 4938429
4-(2-aminoethoxy)-N-cyclohexylbenzamide
CID 22362508
N-phenyl-4-(2-phenylsulfanylethoxy)benzamide
CID 46762944
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
4-butoxy-N-cyclobutylbenzamide
CID 71449411
N-cyclopentyl-4-(3-methylbutoxy)benzamide
CID 4948351
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
N-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide
CID 100728980
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 99951861
[4-(2-phenylsulfanylethoxy)phenyl]-pyrrolidin-1-ylmethanone
CID 53283915
N-[(1S)-3-methyl-1-phenylbutyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 30387379
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide?
The IUPAC name of N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide (CID 92677205) is N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide.
What is the SMILES notation for N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide?
The canonical SMILES for N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide is O=C(NC1CCCCCC1)c1ccc(OCCSc2ccccc2)cc1.
What is the InChIKey of N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide?
The InChIKey is NSJZVXWKHSAAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2S/c24-22(23-19-8-4-1-2-5-9-19)18-12-14-20(15-13-18)25-16-17-26-21-10-6-3-7-11-21/h3,6-7,10-15,19H,1-2,4-5,8-9,16-17H2,(H,23,24).
What are the key properties of N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide?
N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide has a molecular weight of 369.53 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide is sourced from PubChem (CID 92677205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).