N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide

C17H26N2O2S — CID 119589426

IUPACN-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide
SMILESCS(=O)Cc1cccc(C(=O)NC(CN)C2CCCCC2)c1
InChIInChI=1S/C17H26N2O2S/c1-22(21)12-13-6-5-9-15(10-13)17(20)19-16(11-18)14-7-3-2-4-8-14/h5-6,9-10,14,16H,2-4,7-8,11-12,18H2,1H3,(H,19,20)
InChIKeyOGNUBPVDAVFKKK-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.20
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide

N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide (PubChem CID 119589426) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide
PubChem CID119589426
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide
SMILESCS(=O)Cc1cccc(C(=O)NC(CN)C2CCCCC2)c1
InChIInChI=1S/C17H26N2O2S/c1-22(21)12-13-6-5-9-15(10-13)17(20)19-16(11-18)14-7-3-2-4-8-14/h5-6,9-10,14,16H,2-4,7-8,11-12,18H2,1H3,(H,19,20)
InChIKeyOGNUBPVDAVFKKK-UHFFFAOYSA-N
XLogP2.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide
CID 115309240
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
N-(2-amino-1-cyclohexylethyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119589690
3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide
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N-(2-amino-1-cyclopentylethyl)-3-propoxybenzamide
CID 106737605
N-[2-(aminomethyl)cyclopentyl]-3-(methylsulfinylmethyl)benzamide;hydrochloride
CID 119601240
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119590640
N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119591586
3-[[(S)-methylsulfinyl]methyl]-N-[(2S)-oxan-2-yl]oxybenzamide
CID 95156522
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CID 119617679

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide (CID 119589426) is N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide is CS(=O)Cc1cccc(C(=O)NC(CN)C2CCCCC2)c1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide?
The InChIKey is OGNUBPVDAVFKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-22(21)12-13-6-5-9-15(10-13)17(20)19-16(11-18)14-7-3-2-4-8-14/h5-6,9-10,14,16H,2-4,7-8,11-12,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide?
N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide has a molecular weight of 322.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide is sourced from PubChem (CID 119589426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).