3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide

C18H30N2O3S — CID 113137105

IUPAC3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN(C(C)CC)S(C)(=O)=O
InChIInChI=1S/C18H30N2O3S/c1-6-14(4)20(24(5,22)23)13-12-17(21)19-18-15(7-2)10-9-11-16(18)8-3/h9-11,14H,6-8,12-13H2,1-5H3,(H,19,21)
InChIKeyUIEIEJYTHJSUJV-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.20
Rot. Bonds9

About 3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide

3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide (PubChem CID 113137105) 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-(2,6-diethylphenyl)propanamide.

Molecular Properties

Compound Name3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide
PubChem CID113137105
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN(C(C)CC)S(C)(=O)=O
InChIInChI=1S/C18H30N2O3S/c1-6-14(4)20(24(5,22)23)13-12-17(21)19-18-15(7-2)10-9-11-16(18)8-3/h9-11,14H,6-8,12-13H2,1-5H3,(H,19,21)
InChIKeyUIEIEJYTHJSUJV-UHFFFAOYSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide
CID 113137107
N-(2,6-diethylphenyl)-3-(dipropylamino)propanamide
CID 109033127
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113137130
3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 113137172
3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
CID 113137000
N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide
CID 113148772
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide
CID 113137004
4-cyano-N-(2,6-diethylphenyl)pentanamide
CID 112516692
N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143603
3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 113137081
3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113123442

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide?
The IUPAC name of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide (CID 113137105) is 3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide.
What is the SMILES notation for 3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide?
The canonical SMILES for 3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide is CCc1cccc(CC)c1NC(=O)CCN(C(C)CC)S(C)(=O)=O.
What is the InChIKey of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide?
The InChIKey is UIEIEJYTHJSUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-6-14(4)20(24(5,22)23)13-12-17(21)19-18-15(7-2)10-9-11-16(18)8-3/h9-11,14H,6-8,12-13H2,1-5H3,(H,19,21).
What are the key properties of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide?
3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide has a molecular weight of 354.52 g/mol, XLogP of 3.20, 9 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-(2,6-diethylphenyl)propanamide is sourced from PubChem (CID 113137105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).