N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride

C17H26ClN3O2S — CID 119589063

IUPACN-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccccc1SCC(N)=O)C1CCCCC1
InChIInChI=1S/C17H25N3O2S.ClH/c18-10-14(12-6-2-1-3-7-12)20-17(22)13-8-4-5-9-15(13)23-11-16(19)21;/h4-5,8-9,12,14H,1-3,6-7,10-11,18H2,(H2,19,21)(H,20,22);1H
InChIKeyNJFHZUIMJBUTLE-UHFFFAOYSA-N
MW371.93 g/mol
LogP2.32
Rot. Bonds7

About N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride (PubChem CID 119589063) has the molecular formula C17H26ClN3O2S and a molecular weight of 371.93 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride
PubChem CID119589063
Molecular FormulaC17H26ClN3O2S
Molecular Weight371.93 g/mol
Exact Mass371.14
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccccc1SCC(N)=O)C1CCCCC1
InChIInChI=1S/C17H25N3O2S.ClH/c18-10-14(12-6-2-1-3-7-12)20-17(22)13-8-4-5-9-15(13)23-11-16(19)21;/h4-5,8-9,12,14H,1-3,6-7,10-11,18H2,(H2,19,21)(H,20,22);1H
InChIKeyNJFHZUIMJBUTLE-UHFFFAOYSA-N
XLogP2.32
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
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N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride
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N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethoxy)benzamide
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N-(2-amino-1-cyclohexylethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
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N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide
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N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide
CID 106737225
N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride (CID 119589063) is N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride is Cl.NCC(NC(=O)c1ccccc1SCC(N)=O)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride?
The InChIKey is NJFHZUIMJBUTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S.ClH/c18-10-14(12-6-2-1-3-7-12)20-17(22)13-8-4-5-9-15(13)23-11-16(19)21;/h4-5,8-9,12,14H,1-3,6-7,10-11,18H2,(H2,19,21)(H,20,22);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride has a molecular weight of 371.93 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride is sourced from PubChem (CID 119589063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).