N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride

C19H25ClN2O3S — CID 119526864

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)c2cccc(S(C)(=O)=O)c2)cc1.Cl
InChIInChI=1S/C19H24N2O3S.ClH/c1-13(2)14-7-9-15(10-8-14)18(20)12-21-19(22)16-5-4-6-17(11-16)25(3,23)24;/h4-11,13,18H,12,20H2,1-3H3,(H,21,22);1H
InChIKeyUFFSHXGTGRJSPD-UHFFFAOYSA-N
MW396.94 g/mol
LogP3.07
Rot. Bonds6

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride (PubChem CID 119526864) has the molecular formula C19H25ClN2O3S and a molecular weight of 396.94 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride
PubChem CID119526864
Molecular FormulaC19H25ClN2O3S
Molecular Weight396.94 g/mol
Exact Mass396.13
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)c2cccc(S(C)(=O)=O)c2)cc1.Cl
InChIInChI=1S/C19H24N2O3S.ClH/c1-13(2)14-7-9-15(10-8-14)18(20)12-21-19(22)16-5-4-6-17(11-16)25(3,23)24;/h4-11,13,18H,12,20H2,1-3H3,(H,21,22);1H
InChIKeyUFFSHXGTGRJSPD-UHFFFAOYSA-N
XLogP3.07
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride
CID 120832243
N-(2-bromopropyl)-3-methylsulfonylbenzamide
CID 114308747
3-methylsulfonyl-N-(2-phenylpropyl)benzamide
CID 42894359
N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide
CID 55243718
3-methyl-4-[(3-methylsulfonylbenzoyl)amino]butanoic acid
CID 81063437
methyl 2-iodo-3-[(3-methylsulfonylbenzoyl)amino]propanoate
CID 103493340
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119526338
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide
CID 119525543
2-methyl-4-[(3-methylsulfonylbenzoyl)amino]butanoic acid
CID 80537996
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119527433
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide
CID 119526547

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride (CID 119526864) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride is CC(C)c1ccc(C(N)CNC(=O)c2cccc(S(C)(=O)=O)c2)cc1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride?
The InChIKey is UFFSHXGTGRJSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S.ClH/c1-13(2)14-7-9-15(10-8-14)18(20)12-21-19(22)16-5-4-6-17(11-16)25(3,23)24;/h4-11,13,18H,12,20H2,1-3H3,(H,21,22);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride has a molecular weight of 396.94 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119526864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).