3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide

C12H18N2O3S — CID 79842599

IUPAC3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide
SMILESCc1c(N)cccc1C(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-9-10(5-4-6-11(9)13)12(15)14(2)7-8-18(3,16)17/h4-6H,7-8,13H2,1-3H3
InChIKeyCPBMMHGFJCGZSO-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.69
Rot. Bonds4

About 3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide

3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide (PubChem CID 79842599) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide
PubChem CID79842599
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide
SMILESCc1c(N)cccc1C(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-9-10(5-4-6-11(9)13)12(15)14(2)7-8-18(3,16)17/h4-6H,7-8,13H2,1-3H3
InChIKeyCPBMMHGFJCGZSO-UHFFFAOYSA-N
XLogP0.69
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(3-amino-2-methylbenzoyl)-methylamino]propanoate
CID 54997083
1-(3-amino-2-methylphenyl)-3-methylsulfonylpropan-1-one
CID 116604440
3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79865248
2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107075641
5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride
CID 120622618
2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 78924906
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527192
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61115143
3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide
CID 79864806
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118428
3-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 80707419
3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide
CID 115549688

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide (CID 79842599) is 3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide is Cc1c(N)cccc1C(=O)N(C)CCS(C)(=O)=O.
What is the InChIKey of 3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is CPBMMHGFJCGZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-10(5-4-6-11(9)13)12(15)14(2)7-8-18(3,16)17/h4-6H,7-8,13H2,1-3H3.
What are the key properties of 3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide?
3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 270.35 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 79842599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).