N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide

C20H23ClN2O4S2 — CID 27195451

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(C)c1
InChIInChI=1S/C20H23ClN2O4S2/c1-14-3-6-19(15(2)11-14)28-13-20(24)22-18-12-16(4-5-17(18)21)29(25,26)23-7-9-27-10-8-23/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,24)
InChIKeyIAWXRWYLGALEBL-UHFFFAOYSA-N
MW455.00 g/mol
LogP3.71
Rot. Bonds6

About N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide (PubChem CID 27195451) has the molecular formula C20H23ClN2O4S2 and a molecular weight of 455.00 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
PubChem CID27195451
Molecular FormulaC20H23ClN2O4S2
Molecular Weight455.00 g/mol
Exact Mass454.08
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(C)c1
InChIInChI=1S/C20H23ClN2O4S2/c1-14-3-6-19(15(2)11-14)28-13-20(24)22-18-12-16(4-5-17(18)21)29(25,26)23-7-9-27-10-8-23/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,24)
InChIKeyIAWXRWYLGALEBL-UHFFFAOYSA-N
XLogP3.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.00
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide 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-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16553115
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 30234663
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 42118183
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide chloride
CID 42997088
2-(2-chlorophenyl)sulfanyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 27881487
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 42965288
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 24980260
N-(2,5-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 17432955
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 135454734
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 16543235
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 8903917
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 18291958

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide (CID 27195451) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(C)c1.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The InChIKey is IAWXRWYLGALEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S2/c1-14-3-6-19(15(2)11-14)28-13-20(24)22-18-12-16(4-5-17(18)21)29(25,26)23-7-9-27-10-8-23/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,24).
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide has a molecular weight of 455.00 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 27195451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).