2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

C18H19ClN2O4S2 — CID 3424032

IUPAC2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H19ClN2O4S2/c19-14-4-6-16(7-5-14)26-13-18(22)20-15-2-1-3-17(12-15)27(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyPKVNUDSDFRPSKG-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.09
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 3424032) has the molecular formula C18H19ClN2O4S2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID3424032
Molecular FormulaC18H19ClN2O4S2
Molecular Weight426.95 g/mol
Exact Mass426.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H19ClN2O4S2/c19-14-4-6-16(7-5-14)26-13-18(22)20-15-2-1-3-17(12-15)27(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyPKVNUDSDFRPSKG-UHFFFAOYSA-N
XLogP3.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 29479546
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 29479537
N-(3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 16530319
1-(4-chlorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 17477829
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4145244
3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
7-amino-N-(3-morpholin-4-ylsulfonylphenyl)heptanamide
CID 119671799
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
N-(3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 4557249
2-(4-ethoxyphenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9404160
2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4803040

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (CID 3424032) is 2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CSc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is PKVNUDSDFRPSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S2/c19-14-4-6-16(7-5-14)26-13-18(22)20-15-2-1-3-17(12-15)27(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H,20,22).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 426.95 g/mol, XLogP of 3.09, 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-(3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3424032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).