2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide

C17H28N2O3S — CID 71908103

IUPAC2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)C(C)N(C)CCCS(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-13(2)15-9-6-7-10-16(15)18-17(20)14(3)19(4)11-8-12-23(5,21)22/h6-7,9-10,13-14H,8,11-12H2,1-5H3,(H,18,20)
InChIKeyBKAMIELVBLDBMK-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.50
Rot. Bonds8

About 2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide

2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 71908103) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID71908103
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)C(C)N(C)CCCS(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-13(2)15-9-6-7-10-16(15)18-17(20)14(3)19(4)11-8-12-23(5,21)22/h6-7,9-10,13-14H,8,11-12H2,1-5H3,(H,18,20)
InChIKeyBKAMIELVBLDBMK-UHFFFAOYSA-N
XLogP2.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 86909917
(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126136461
N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide
CID 79843396
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 51244258
(2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 95630574
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126413955
N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198478
4-(methylsulfonylmethyl)-N-(2-propan-2-ylphenyl)benzamide
CID 9094036
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
N'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide
CID 108500546
2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide
CID 110880711
2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113153663

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide (CID 71908103) is 2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)C(C)N(C)CCCS(C)(=O)=O.
What is the InChIKey of 2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is BKAMIELVBLDBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-13(2)15-9-6-7-10-16(15)18-17(20)14(3)19(4)11-8-12-23(5,21)22/h6-7,9-10,13-14H,8,11-12H2,1-5H3,(H,18,20).
What are the key properties of 2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide?
2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 340.49 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 71908103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).