(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C18H20Cl2N2O3S2 — CID 2486517

IUPAC(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H20Cl2N2O3S2/c1-11(2)22-27(24,25)15-7-5-14(6-8-15)21-18(23)12(3)26-17-10-13(19)4-9-16(17)20/h4-12,22H,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyALYZTLPHXCMXSZ-GFCCVEGCSA-N
MW447.41 g/mol
LogP4.80
Rot. Bonds7

About (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 2486517) has the molecular formula C18H20Cl2N2O3S2 and a molecular weight of 447.41 g/mol. Its IUPAC name is (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID2486517
Molecular FormulaC18H20Cl2N2O3S2
Molecular Weight447.41 g/mol
Exact Mass446.03
IUPAC Name(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H20Cl2N2O3S2/c1-11(2)22-27(24,25)15-7-5-14(6-8-15)21-18(23)12(3)26-17-10-13(19)4-9-16(17)20/h4-12,22H,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyALYZTLPHXCMXSZ-GFCCVEGCSA-N
XLogP4.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide 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

(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 8736548
(2R)-2-(4-fluorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7553964
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
CID 7870527
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7870535
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
CID 132673976
2-(4-chlorophenyl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25034798
N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 25034802
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8579900
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 8736586
(2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 94864154
2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 55838406

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 2486517) is (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is ALYZTLPHXCMXSZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S2/c1-11(2)22-27(24,25)15-7-5-14(6-8-15)21-18(23)12(3)26-17-10-13(19)4-9-16(17)20/h4-12,22H,1-3H3,(H,21,23)/t12-/m1/s1.
What are the key properties of (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 447.41 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 2486517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).