4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide

C14H21BrN2O3S — CID 113065465

IUPAC4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide
SMILESCC(C)CN(CCNC(=O)c1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21BrN2O3S/c1-11(2)10-17(21(3,19)20)9-8-16-14(18)12-4-6-13(15)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyLHCPWUQWSKZLBU-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.10
Rot. Bonds7

About 4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide

4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide (PubChem CID 113065465) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide
PubChem CID113065465
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide
SMILESCC(C)CN(CCNC(=O)c1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21BrN2O3S/c1-11(2)10-17(21(3,19)20)9-8-16-14(18)12-4-6-13(15)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyLHCPWUQWSKZLBU-UHFFFAOYSA-N
XLogP2.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide
CID 113064845
4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065961
N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-bromobenzamide
CID 113052522
N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068205
methyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate
CID 113065507
3,4-dimethoxy-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068223
4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657874
N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065345
4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068306
4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide
CID 113066394
N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]-4-bromobenzamide
CID 119299513
N-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136934

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide (CID 113065465) is 4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide is CC(C)CN(CCNC(=O)c1ccc(Br)cc1)S(C)(=O)=O.
What is the InChIKey of 4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide?
The InChIKey is LHCPWUQWSKZLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-11(2)10-17(21(3,19)20)9-8-16-14(18)12-4-6-13(15)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,16,18).
What are the key properties of 4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide?
4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide has a molecular weight of 377.30 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide is sourced from PubChem (CID 113065465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).