N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide

C18H18Br2N2O2S — CID 55704272

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)CCSc1ccccc1Br
InChIInChI=1S/C18H18Br2N2O2S/c1-12-10-13(19)6-7-15(12)22-18(24)11-21-17(23)8-9-25-16-5-3-2-4-14(16)20/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyVVQGKNQYVMCYIF-UHFFFAOYSA-N
MW486.23 g/mol
LogP4.76
Rot. Bonds7

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide (PubChem CID 55704272) has the molecular formula C18H18Br2N2O2S and a molecular weight of 486.23 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide
PubChem CID55704272
Molecular FormulaC18H18Br2N2O2S
Molecular Weight486.23 g/mol
Exact Mass483.95
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)CCSc1ccccc1Br
InChIInChI=1S/C18H18Br2N2O2S/c1-12-10-13(19)6-7-15(12)22-18(24)11-21-17(23)8-9-25-16-5-3-2-4-14(16)20/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyVVQGKNQYVMCYIF-UHFFFAOYSA-N
XLogP4.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.23
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide 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

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylsulfanylpropanamide
CID 18160466
3-(2-bromophenyl)sulfanyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
CID 49394136
3-(benzenesulfonyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 18159015
4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119269095
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2539835
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide
CID 26071027
N-(4-bromo-2-methylphenyl)-2-[[(S)-cyclopropyl(phenyl)methyl]carbamoylamino]acetamide
CID 41285988
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide
CID 16561679
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 27781697
3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 35955632
N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride
CID 119627225

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide (CID 55704272) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)CCSc1ccccc1Br.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide?
The InChIKey is VVQGKNQYVMCYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2N2O2S/c1-12-10-13(19)6-7-15(12)22-18(24)11-21-17(23)8-9-25-16-5-3-2-4-14(16)20/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide has a molecular weight of 486.23 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide is sourced from PubChem (CID 55704272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).