N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide

C15H23BrN2O3S — CID 113136785

IUPACN-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide
SMILESCCCCN(CCC(=O)Nc1ccc(Br)cc1C)S(C)(=O)=O
InChIInChI=1S/C15H23BrN2O3S/c1-4-5-9-18(22(3,20)21)10-8-15(19)17-14-7-6-13(16)11-12(14)2/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,19)
InChIKeyUMIJIRHEDLWHNL-UHFFFAOYSA-N
MW391.33 g/mol
LogP3.15
Rot. Bonds8

About N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide

N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide (PubChem CID 113136785) has the molecular formula C15H23BrN2O3S and a molecular weight of 391.33 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide
PubChem CID113136785
Molecular FormulaC15H23BrN2O3S
Molecular Weight391.33 g/mol
Exact Mass390.06
IUPAC NameN-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide
SMILESCCCCN(CCC(=O)Nc1ccc(Br)cc1C)S(C)(=O)=O
InChIInChI=1S/C15H23BrN2O3S/c1-4-5-9-18(22(3,20)21)10-8-15(19)17-14-7-6-13(16)11-12(14)2/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,19)
InChIKeyUMIJIRHEDLWHNL-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136791
3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113136795
3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide
CID 113136736
N-(4-bromo-2-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148206
N-(2,4-dibromophenyl)hexanamide
CID 4251482
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135966
N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide
CID 109036567
2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113166813
N-(4-chloro-2-methylphenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137729
3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide (CID 113136785) is N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide is CCCCN(CCC(=O)Nc1ccc(Br)cc1C)S(C)(=O)=O.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide?
The InChIKey is UMIJIRHEDLWHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3S/c1-4-5-9-18(22(3,20)21)10-8-15(19)17-14-7-6-13(16)11-12(14)2/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide?
N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide has a molecular weight of 391.33 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113136785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).