2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide

C22H23BrClN3O3S — CID 98193222

IUPAC2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
SMILESCC[C@@]1(C)N=C(SCC(=O)Nc2cc(Cl)c(OC)cc2OC)C(c2ccc(Br)cc2)=N1
InChIInChI=1S/C22H23BrClN3O3S/c1-5-22(2)26-20(13-6-8-14(23)9-7-13)21(27-22)31-12-19(28)25-16-10-15(24)17(29-3)11-18(16)30-4/h6-11H,5,12H2,1-4H3,(H,25,28)/t22-/m1/s1
InChIKeyOGYCHKGEAUZGIH-JOCHJYFZSA-N
MW524.87 g/mol
LogP5.82
Rot. Bonds7

About 2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide

2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide (PubChem CID 98193222) has the molecular formula C22H23BrClN3O3S and a molecular weight of 524.87 g/mol. Its IUPAC name is 2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
PubChem CID98193222
Molecular FormulaC22H23BrClN3O3S
Molecular Weight524.87 g/mol
Exact Mass523.03
IUPAC Name2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
SMILESCC[C@@]1(C)N=C(SCC(=O)Nc2cc(Cl)c(OC)cc2OC)C(c2ccc(Br)cc2)=N1
InChIInChI=1S/C22H23BrClN3O3S/c1-5-22(2)26-20(13-6-8-14(23)9-7-13)21(27-22)31-12-19(28)25-16-10-15(24)17(29-3)11-18(16)30-4/h6-11H,5,12H2,1-4H3,(H,25,28)/t22-/m1/s1
InChIKeyOGYCHKGEAUZGIH-JOCHJYFZSA-N
XLogP5.82
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.87
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide 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-(4-bromo-3-methylphenyl)-2-[(2S)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanylacetamide
CID 98193151
2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 22428544
N-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24567551
2-[5-(4-bromophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 22428883
3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
CID 112772747
2-[[2-(4-bromophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 46246985
N-(4-bromophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide
CID 46246982
N-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24568848
N-(3-chloro-4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide
CID 50744559
2-[[2-(4-bromophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 22428876
2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126176771
2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 26877190

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide (CID 98193222) is 2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide is CC[C@@]1(C)N=C(SCC(=O)Nc2cc(Cl)c(OC)cc2OC)C(c2ccc(Br)cc2)=N1.
What is the InChIKey of 2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The InChIKey is OGYCHKGEAUZGIH-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23BrClN3O3S/c1-5-22(2)26-20(13-6-8-14(23)9-7-13)21(27-22)31-12-19(28)25-16-10-15(24)17(29-3)11-18(16)30-4/h6-11H,5,12H2,1-4H3,(H,25,28)/t22-/m1/s1.
What are the key properties of 2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide has a molecular weight of 524.87 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 98193222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).