3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide

C17H28N2O4S — CID 113137130

IUPAC3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCCC(C)N(CCC(=O)Nc1ccccc1OC(C)C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O4S/c1-6-14(4)19(24(5,21)22)12-11-17(20)18-15-9-7-8-10-16(15)23-13(2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,18,20)
InChIKeyMOJGEKKKHFAYAR-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.86
Rot. Bonds9

About 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide

3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 113137130) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID113137130
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCCC(C)N(CCC(=O)Nc1ccccc1OC(C)C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O4S/c1-6-14(4)19(24(5,21)22)12-11-17(20)18-15-9-7-8-10-16(15)23-13(2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,18,20)
InChIKeyMOJGEKKKHFAYAR-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113137315
3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113141978
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide
CID 113137107
2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113150910
2-[2-methylpropyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113148565
3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113115448
3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide
CID 113137105
3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036788
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53286884
3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109012857
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113118495
3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 113137172

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide (CID 113137130) is 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide is CCC(C)N(CCC(=O)Nc1ccccc1OC(C)C)S(C)(=O)=O.
What is the InChIKey of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is MOJGEKKKHFAYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-6-14(4)19(24(5,21)22)12-11-17(20)18-15-9-7-8-10-16(15)23-13(2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,18,20).
What are the key properties of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide?
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 356.49 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 113137130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).