N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride

C17H27Cl2N3O3S — CID 119589855

IUPACN-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride
SMILESCN(CC(=O)NC(CN)C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H26ClN3O3S.ClH/c1-21(25(23,24)15-9-7-14(18)8-10-15)12-17(22)20-16(11-19)13-5-3-2-4-6-13;/h7-10,13,16H,2-6,11-12,19H2,1H3,(H,20,22);1H
InChIKeyOXOQRXGSGSDWBF-UHFFFAOYSA-N
MW424.39 g/mol
LogP2.41
Rot. Bonds7

About N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride (PubChem CID 119589855) has the molecular formula C17H27Cl2N3O3S and a molecular weight of 424.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride
PubChem CID119589855
Molecular FormulaC17H27Cl2N3O3S
Molecular Weight424.39 g/mol
Exact Mass423.12
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride
SMILESCN(CC(=O)NC(CN)C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H26ClN3O3S.ClH/c1-21(25(23,24)15-9-7-14(18)8-10-15)12-17(22)20-16(11-19)13-5-3-2-4-6-13;/h7-10,13,16H,2-6,11-12,19H2,1H3,(H,20,22);1H
InChIKeyOXOQRXGSGSDWBF-UHFFFAOYSA-N
XLogP2.41
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide;hydrochloride
CID 119616334
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride
CID 119590776
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119610103
N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119591138
N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119475665
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclopentylethyl)-2-(dimethylamino)acetamide
CID 106737390
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2583856
N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride
CID 119590150
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide
CID 98775845

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride (CID 119589855) is N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride is CN(CC(=O)NC(CN)C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride?
The InChIKey is OXOQRXGSGSDWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3S.ClH/c1-21(25(23,24)15-9-7-14(18)8-10-15)12-17(22)20-16(11-19)13-5-3-2-4-6-13;/h7-10,13,16H,2-6,11-12,19H2,1H3,(H,20,22);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride has a molecular weight of 424.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride is sourced from PubChem (CID 119589855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).