3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide

C16H26N2O4S — CID 113136668

IUPAC3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCCCCN(CCC(=O)NCc1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-4-5-11-18(23(3,20)21)12-10-16(19)17-13-14-8-6-7-9-15(14)22-2/h6-9H,4-5,10-13H2,1-3H3,(H,17,19)
InChIKeyXXYKCTPTXYCRRP-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.76
Rot. Bonds10

About 3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide

3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 113136668) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID113136668
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCCCCN(CCC(=O)NCc1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-4-5-11-18(23(3,20)21)12-10-16(19)17-13-14-8-6-7-9-15(14)22-2/h6-9H,4-5,10-13H2,1-3H3,(H,17,19)
InChIKeyXXYKCTPTXYCRRP-UHFFFAOYSA-N
XLogP1.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113138110
3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021987
3-[tert-butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113140802
N-[(2-methoxyphenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148464
N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138353
3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide
CID 113139567
3-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113145922
3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113146965
N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139569
2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992739
3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113136660
3-[acetyl(butan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116141

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide (CID 113136668) is 3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide is CCCCN(CCC(=O)NCc1ccccc1OC)S(C)(=O)=O.
What is the InChIKey of 3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is XXYKCTPTXYCRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-4-5-11-18(23(3,20)21)12-10-16(19)17-13-14-8-6-7-9-15(14)22-2/h6-9H,4-5,10-13H2,1-3H3,(H,17,19).
What are the key properties of 3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide?
3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 342.46 g/mol, XLogP of 1.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 113136668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).