2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide

C18H21ClN2O3S2 — CID 9219362

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O3S2/c1-13(2)21-26(23,24)17-8-6-16(7-9-17)20-18(22)12-25-11-14-4-3-5-15(19)10-14/h3-10,13,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyRMRMZBKYYAKRSI-UHFFFAOYSA-N
MW412.96 g/mol
LogP3.90
Rot. Bonds8

About 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 9219362) has the molecular formula C18H21ClN2O3S2 and a molecular weight of 412.96 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
PubChem CID9219362
Molecular FormulaC18H21ClN2O3S2
Molecular Weight412.96 g/mol
Exact Mass412.07
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O3S2/c1-13(2)21-26(23,24)17-8-6-16(7-9-17)20-18(22)12-25-11-14-4-3-5-15(19)10-14/h3-10,13,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyRMRMZBKYYAKRSI-UHFFFAOYSA-N
XLogP3.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 38016983
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 28589500
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-[(3-chlorophenyl)methylsulfanyl]acetate
CID 42981287
2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 42893690
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)acetamide
CID 18269298
2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 27700031
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55966889
N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 126213924
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 26252162
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 60629859

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide (CID 9219362) is 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is RMRMZBKYYAKRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S2/c1-13(2)21-26(23,24)17-8-6-16(7-9-17)20-18(22)12-25-11-14-4-3-5-15(19)10-14/h3-10,13,21H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 412.96 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 9219362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).