2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide

C20H23Cl2N3O2S — CID 55838406

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C(C)Sc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C20H23Cl2N3O2S/c1-12(2)24-20(27)25-16-7-4-14(5-8-16)11-23-19(26)13(3)28-18-10-15(21)6-9-17(18)22/h4-10,12-13H,11H2,1-3H3,(H,23,26)(H2,24,25,27)
InChIKeyOHTQUZGFAJTJJP-UHFFFAOYSA-N
MW440.40 g/mol
LogP5.32
Rot. Bonds7

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

2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide (PubChem CID 55838406) has the molecular formula C20H23Cl2N3O2S and a molecular weight of 440.40 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
PubChem CID55838406
Molecular FormulaC20H23Cl2N3O2S
Molecular Weight440.40 g/mol
Exact Mass439.09
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C(C)Sc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C20H23Cl2N3O2S/c1-12(2)24-20(27)25-16-7-4-14(5-8-16)11-23-19(26)13(3)28-18-10-15(21)6-9-17(18)22/h4-10,12-13H,11H2,1-3H3,(H,23,26)(H2,24,25,27)
InChIKeyOHTQUZGFAJTJJP-UHFFFAOYSA-N
XLogP5.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.40
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]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

2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide
CID 47051274
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 8736586
1-[4-[[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-propan-2-ylurea
CID 111198370
2-(4-chloro-3-methylphenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 55838261
2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 55693778
2,4-dichloro-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide
CID 46464704
2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride
CID 119293088
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 7870521
2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 119730362
2-(2,5-dichlorophenyl)sulfanyl-N-(3-hydroxybutyl)propanamide
CID 111433355
4-chloro-3-iodo-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456497
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 2486517

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide (CID 55838406) is 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide is CC(C)NC(=O)Nc1ccc(CNC(=O)C(C)Sc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide?
The InChIKey is OHTQUZGFAJTJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2S/c1-12(2)24-20(27)25-16-7-4-14(5-8-16)11-23-19(26)13(3)28-18-10-15(21)6-9-17(18)22/h4-10,12-13H,11H2,1-3H3,(H,23,26)(H2,24,25,27).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide?
2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide has a molecular weight of 440.40 g/mol, XLogP of 5.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide is sourced from PubChem (CID 55838406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).