5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride

C12H19ClN2O3S — CID 120622618

IUPAC5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(C)CCS(C)(=O)=O.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-9-4-5-10(13)8-11(9)12(15)14(2)6-7-18(3,16)17;/h4-5,8H,6-7,13H2,1-3H3;1H
InChIKeyYCPZYCXJYSPVLV-UHFFFAOYSA-N
MW306.81 g/mol
LogP1.12
Rot. Bonds4

About 5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride

5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride (PubChem CID 120622618) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride
PubChem CID120622618
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(C)CCS(C)(=O)=O.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-9-4-5-10(13)8-11(9)12(15)14(2)6-7-18(3,16)17;/h4-5,8H,6-7,13H2,1-3H3;1H
InChIKeyYCPZYCXJYSPVLV-UHFFFAOYSA-N
XLogP1.12
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
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methyl 4-[(5-amino-2-methylbenzoyl)-methylamino]butanoate
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3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide
CID 79842599
ethyl 2-[(5-amino-2-methylbenzoyl)-methylamino]acetate
CID 54969504
2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107075641
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618208
5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide
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5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride
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5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride?
The IUPAC name of 5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride (CID 120622618) is 5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride.
What is the SMILES notation for 5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride?
The canonical SMILES for 5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)N(C)CCS(C)(=O)=O.Cl.
What is the InChIKey of 5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride?
The InChIKey is YCPZYCXJYSPVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S.ClH/c1-9-4-5-10(13)8-11(9)12(15)14(2)6-7-18(3,16)17;/h4-5,8H,6-7,13H2,1-3H3;1H.
What are the key properties of 5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride?
5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride has a molecular weight of 306.81 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride is sourced from PubChem (CID 120622618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).