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

C19H21ClN2O4S2 — CID 2865612

IUPAC2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H21ClN2O4S2/c1-14(27-17-6-2-15(20)3-7-17)19(23)21-16-4-8-18(9-5-16)28(24,25)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyADRASFMZVRWGLU-UHFFFAOYSA-N
MW440.97 g/mol
LogP3.48
Rot. Bonds6

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

2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 2865612) has the molecular formula C19H21ClN2O4S2 and a molecular weight of 440.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID2865612
Molecular FormulaC19H21ClN2O4S2
Molecular Weight440.97 g/mol
Exact Mass440.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H21ClN2O4S2/c1-14(27-17-6-2-15(20)3-7-17)19(23)21-16-4-8-18(9-5-16)28(24,25)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyADRASFMZVRWGLU-UHFFFAOYSA-N
XLogP3.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.97
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 5021320
2-(4-Chloro-phenylsulfanyl)-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-acetamide
CID 1087191
2-[(4-Chlorophenyl)sulfonyl-methylamino]acetic acid (2-anilino-2-oxoethyl) ester
CID 2363156
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2413278
2-[(4-methylphenyl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide
CID 2948127
N-[4-(4-morpholinylsulfonyl)phenyl]-3-(phenylthio)propanamide
CID 2951066
2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 2963778
[2-[4-Chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 3285585
3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide
CID 4237823
3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 4780661
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 5176013
2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16545860

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 2865612) is 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is CC(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)propanamide?
The InChIKey is ADRASFMZVRWGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S2/c1-14(27-17-6-2-15(20)3-7-17)19(23)21-16-4-8-18(9-5-16)28(24,25)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 440.97 g/mol, XLogP of 3.48, 6 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)propanamide is sourced from PubChem (CID 2865612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).