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

C15H23BrN2O3S — CID 113136934

IUPACN-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
SMILESCc1ccc(NC(=O)CCN(CC(C)C)S(C)(=O)=O)cc1Br
InChIInChI=1S/C15H23BrN2O3S/c1-11(2)10-18(22(4,20)21)8-7-15(19)17-13-6-5-12(3)14(16)9-13/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,19)
InChIKeyQBPALMXEAVOGQR-UHFFFAOYSA-N
MW391.33 g/mol
LogP3.00
Rot. Bonds7

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

N-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide (PubChem CID 113136934) has the molecular formula C15H23BrN2O3S and a molecular weight of 391.33 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
PubChem CID113136934
Molecular FormulaC15H23BrN2O3S
Molecular Weight391.33 g/mol
Exact Mass390.06
IUPAC NameN-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
SMILESCc1ccc(NC(=O)CCN(CC(C)C)S(C)(=O)=O)cc1Br
InChIInChI=1S/C15H23BrN2O3S/c1-11(2)10-18(22(4,20)21)8-7-15(19)17-13-6-5-12(3)14(16)9-13/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,19)
InChIKeyQBPALMXEAVOGQR-UHFFFAOYSA-N
XLogP3.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-[3-methylbutyl(methylsulfonyl)amino]propanamide
CID 113141171
N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136950
N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136957
N-(3-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136966
N-(3-bromo-4-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148168
N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide
CID 109032458
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140730
N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138183
5-amino-N-(3-bromo-4-methylphenyl)-4-methylpentanamide
CID 82688133
N-(3-bromo-4-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 63334817
N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136996
N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136983

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide (CID 113136934) is N-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide is Cc1ccc(NC(=O)CCN(CC(C)C)S(C)(=O)=O)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The InChIKey is QBPALMXEAVOGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3S/c1-11(2)10-18(22(4,20)21)8-7-15(19)17-13-6-5-12(3)14(16)9-13/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,19).
What are the key properties of N-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
N-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide has a molecular weight of 391.33 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113136934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).