2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide

C20H23ClN2O4S2 — CID 43908024

IUPAC2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23ClN2O4S2/c1-2-19(28-17-7-3-15(21)4-8-17)20(24)22-16-5-9-18(10-6-16)29(25,26)23-11-13-27-14-12-23/h3-10,19H,2,11-14H2,1H3,(H,22,24)
InChIKeyYQTZGDOZHKMRQA-UHFFFAOYSA-N
MW455.00 g/mol
LogP3.87
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide

2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide (PubChem CID 43908024) has the molecular formula C20H23ClN2O4S2 and a molecular weight of 455.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
PubChem CID43908024
Molecular FormulaC20H23ClN2O4S2
Molecular Weight455.00 g/mol
Exact Mass454.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23ClN2O4S2/c1-2-19(28-17-7-3-15(21)4-8-17)20(24)22-16-5-9-18(10-6-16)29(25,26)23-11-13-27-14-12-23/h3-10,19H,2,11-14H2,1H3,(H,22,24)
InChIKeyYQTZGDOZHKMRQA-UHFFFAOYSA-N
XLogP3.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.00
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide 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

(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
(2S)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)sulfanylbutanamide
CID 30386688
(2R)-N-(4-morpholin-4-ylsulfonylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 1320672
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 94018758
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
CID 133234759
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 29479537
2-(4-chlorophenyl)sulfanyl-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43905356
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
CID 93486492
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 42987634
N'-(4-chlorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127021
2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4671972

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide (CID 43908024) is 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide is CCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The InChIKey is YQTZGDOZHKMRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S2/c1-2-19(28-17-7-3-15(21)4-8-17)20(24)22-16-5-9-18(10-6-16)29(25,26)23-11-13-27-14-12-23/h3-10,19H,2,11-14H2,1H3,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide has a molecular weight of 455.00 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 43908024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).