2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride

C21H27ClN2O3S — CID 119324202

IUPAC2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C21H26N2O3S.ClH/c22-20(17-9-3-1-4-10-17)21(24)23-18-11-7-8-16(14-18)15-27(25,26)19-12-5-2-6-13-19;/h1,3-4,7-11,14,19-20H,2,5-6,12-13,15,22H2,(H,23,24);1H
InChIKeyGWCYPOJCIDLBFY-UHFFFAOYSA-N
MW422.98 g/mol
LogP3.99
Rot. Bonds6

About 2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride

2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride (PubChem CID 119324202) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is 2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride
PubChem CID119324202
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC Name2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C21H26N2O3S.ClH/c22-20(17-9-3-1-4-10-17)21(24)23-18-11-7-8-16(14-18)15-27(25,26)19-12-5-2-6-13-19;/h1,3-4,7-11,14,19-20H,2,5-6,12-13,15,22H2,(H,23,24);1H
InChIKeyGWCYPOJCIDLBFY-UHFFFAOYSA-N
XLogP3.99
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide
CID 119784532
N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide
CID 86940159
N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119299327
N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119784568
1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea
CID 146087942
2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-2-phenylacetamide;dihydrochloride
CID 119872304
2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid
CID 138033236
5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide
CID 120632747
2-amino-2-phenyl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119306292
3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride
CID 119784239
2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668464
3-amino-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]-3-phenylpropanamide
CID 86813957

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride (CID 119324202) is 2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride is Cl.NC(C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccccc1.
What is the InChIKey of 2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride?
The InChIKey is GWCYPOJCIDLBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S.ClH/c22-20(17-9-3-1-4-10-17)21(24)23-18-11-7-8-16(14-18)15-27(25,26)19-12-5-2-6-13-19;/h1,3-4,7-11,14,19-20H,2,5-6,12-13,15,22H2,(H,23,24);1H.
What are the key properties of 2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride?
2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride has a molecular weight of 422.98 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119324202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).