3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide

C12H18N2O3S — CID 62669246

IUPAC3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)C(C)CN)cc1
InChIInChI=1S/C12H18N2O3S/c1-3-18(16,17)11-6-4-10(5-7-11)14-12(15)9(2)8-13/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyYEXFGKVPGOZDEK-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.01
Rot. Bonds5

About 3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide

3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide (PubChem CID 62669246) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide
PubChem CID62669246
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)C(C)CN)cc1
InChIInChI=1S/C12H18N2O3S/c1-3-18(16,17)11-6-4-10(5-7-11)14-12(15)9(2)8-13/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyYEXFGKVPGOZDEK-UHFFFAOYSA-N
XLogP1.01
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704509
(2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 79024721
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
4-[(3-amino-2-methylpropanoyl)amino]benzoic acid
CID 62669470
2-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 51331498
N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide
CID 62668929
2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide
CID 60546759
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide
CID 62671203
3-amino-2-methyl-N-(4-pentylphenyl)propanamide
CID 62670377
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
4-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704501
2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
CID 79195981

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide (CID 62669246) is 3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide is CCS(=O)(=O)c1ccc(NC(=O)C(C)CN)cc1.
What is the InChIKey of 3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide?
The InChIKey is YEXFGKVPGOZDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-18(16,17)11-6-4-10(5-7-11)14-12(15)9(2)8-13/h4-7,9H,3,8,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide?
3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide has a molecular weight of 270.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide is sourced from PubChem (CID 62669246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).