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

C16H26N2O3S — CID 113136660

IUPAC3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
SMILESCCCCN(CCC(=O)NCc1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-4-5-10-18(22(3,20)21)11-9-16(19)17-13-15-8-6-7-14(2)12-15/h6-8,12H,4-5,9-11,13H2,1-3H3,(H,17,19)
InChIKeyRUFGBCUOYFOGLC-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.06
Rot. Bonds9

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

3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 113136660) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
PubChem CID113136660
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
SMILESCCCCN(CCC(=O)NCc1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-4-5-10-18(22(3,20)21)11-9-16(19)17-13-15-8-6-7-14(2)12-15/h6-8,12H,4-5,9-11,13H2,1-3H3,(H,17,19)
InChIKeyRUFGBCUOYFOGLC-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138877
3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113136268
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 113149442
N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140705
4-(4-chloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]butanamide
CID 53285283
N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138863
3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113144695
3-(3-acetyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113145325
2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 112992191
3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113136668
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285343

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide (CID 113136660) is 3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide is CCCCN(CCC(=O)NCc1cccc(C)c1)S(C)(=O)=O.
What is the InChIKey of 3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is RUFGBCUOYFOGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-4-5-10-18(22(3,20)21)11-9-16(19)17-13-15-8-6-7-14(2)12-15/h6-8,12H,4-5,9-11,13H2,1-3H3,(H,17,19).
What are the key properties of 3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide?
3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 326.46 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113136660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).