3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C19H32N2O3S — CID 113141183

IUPAC3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCN(CCC(C)C)S(C)(=O)=O
InChIInChI=1S/C19H32N2O3S/c1-14(2)10-12-21(25(6,23)24)13-11-18(22)20-19-16(5)8-7-9-17(19)15(3)4/h7-9,14-15H,10-13H2,1-6H3,(H,20,22)
InChIKeyYJEVLWSNOOZEDH-UHFFFAOYSA-N
MW368.54 g/mol
LogP3.75
Rot. Bonds9

About 3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 113141183) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is 3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID113141183
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCN(CCC(C)C)S(C)(=O)=O
InChIInChI=1S/C19H32N2O3S/c1-14(2)10-12-21(25(6,23)24)13-11-18(22)20-19-16(5)8-7-9-17(19)15(3)4/h7-9,14-15H,10-13H2,1-6H3,(H,20,22)
InChIKeyYJEVLWSNOOZEDH-UHFFFAOYSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide 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

3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methylphenyl)propanamide
CID 113141163
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 113138157
3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113137458
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30464682
N-(3,4-dimethylphenyl)-3-[3-methylbutyl(methylsulfonyl)amino]propanamide
CID 113141171
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910
3-[cyclopropyl(methylsulfonyl)amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 113136412
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113118994
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177
N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136996
3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109036517

Frequently Asked Questions

What is the IUPAC name of 3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 113141183) is 3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is Cc1cccc(C(C)C)c1NC(=O)CCN(CCC(C)C)S(C)(=O)=O.
What is the InChIKey of 3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is YJEVLWSNOOZEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-14(2)10-12-21(25(6,23)24)13-11-18(22)20-19-16(5)8-7-9-17(19)15(3)4/h7-9,14-15H,10-13H2,1-6H3,(H,20,22).
What are the key properties of 3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 368.54 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113141183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).