3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide

C18H30N2O3S — CID 113137107

IUPAC3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide
SMILESCCC(C)N(CCC(=O)Nc1ccccc1C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C18H30N2O3S/c1-7-14(2)20(24(6,22)23)13-12-17(21)19-16-11-9-8-10-15(16)18(3,4)5/h8-11,14H,7,12-13H2,1-6H3,(H,19,21)
InChIKeyKBGPVHYZPBEWMA-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.37
Rot. Bonds7

About 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide

3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide (PubChem CID 113137107) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide.

Molecular Properties

Compound Name3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide
PubChem CID113137107
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide
SMILESCCC(C)N(CCC(=O)Nc1ccccc1C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C18H30N2O3S/c1-7-14(2)20(24(6,22)23)13-12-17(21)19-16-11-9-8-10-15(16)18(3,4)5/h8-11,14H,7,12-13H2,1-6H3,(H,19,21)
InChIKeyKBGPVHYZPBEWMA-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)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-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113137130
3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide
CID 113137105
3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 113137172
N-(2-tert-butylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147391
N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139129
N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154127
2-bromo-N-(2-tert-butylphenyl)butanamide
CID 62855574
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide
CID 113137004
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113117902
3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119399933
4-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119164498
N-(2-tert-butylphenyl)-5-chloropentanamide
CID 43697568

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide?
The IUPAC name of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide (CID 113137107) is 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide.
What is the SMILES notation for 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide?
The canonical SMILES for 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide is CCC(C)N(CCC(=O)Nc1ccccc1C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide?
The InChIKey is KBGPVHYZPBEWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-7-14(2)20(24(6,22)23)13-12-17(21)19-16-11-9-8-10-15(16)18(3,4)5/h8-11,14H,7,12-13H2,1-6H3,(H,19,21).
What are the key properties of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide?
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide has a molecular weight of 354.52 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide is sourced from PubChem (CID 113137107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).