N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide

C22H25ClN4O3S2 — CID 46617238

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1ccc(-n2ccnc2SC(C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1C
InChIInChI=1S/C22H25ClN4O3S2/c1-14-6-8-18(12-15(14)2)27-11-10-24-22(27)31-16(3)21(28)25-17-7-9-19(23)20(13-17)32(29,30)26(4)5/h6-13,16H,1-5H3,(H,25,28)
InChIKeyIDICAQPVJBLBQA-UHFFFAOYSA-N
MW493.05 g/mol
LogP4.51
Rot. Bonds7

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 46617238) has the molecular formula C22H25ClN4O3S2 and a molecular weight of 493.05 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID46617238
Molecular FormulaC22H25ClN4O3S2
Molecular Weight493.05 g/mol
Exact Mass492.11
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1ccc(-n2ccnc2SC(C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1C
InChIInChI=1S/C22H25ClN4O3S2/c1-14-6-8-18(12-15(14)2)27-11-10-24-22(27)31-16(3)21(28)25-17-7-9-19(23)20(13-17)32(29,30)26(4)5/h6-13,16H,1-5H3,(H,25,28)
InChIKeyIDICAQPVJBLBQA-UHFFFAOYSA-N
XLogP4.51
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.05
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]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-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 43014157
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46677194
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 55771812
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 55418227
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 46519193
(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 41216514
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
CID 55426440
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 46812967
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 30828916
N-(1,3-benzodioxol-5-yl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 43027462
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46806722
N-(4-chlorophenyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 18226408

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide (CID 46617238) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide is Cc1ccc(-n2ccnc2SC(C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1C.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is IDICAQPVJBLBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3S2/c1-14-6-8-18(12-15(14)2)27-11-10-24-22(27)31-16(3)21(28)25-17-7-9-19(23)20(13-17)32(29,30)26(4)5/h6-13,16H,1-5H3,(H,25,28).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 493.05 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 46617238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).