N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide

C21H24Cl2N2O3S2 — CID 17310008

IUPACN-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H24Cl2N2O3S2/c22-19-11-6-15(12-20(19)23)13-29-14-21(26)24-16-7-9-18(10-8-16)30(27,28)25-17-4-2-1-3-5-17/h6-12,17,25H,1-5,13-14H2,(H,24,26)
InChIKeyXRWJLAXQTWYPDW-UHFFFAOYSA-N
MW487.47 g/mol
LogP5.48
Rot. Bonds8

About N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide

N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide (PubChem CID 17310008) has the molecular formula C21H24Cl2N2O3S2 and a molecular weight of 487.47 g/mol. Its IUPAC name is N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
PubChem CID17310008
Molecular FormulaC21H24Cl2N2O3S2
Molecular Weight487.47 g/mol
Exact Mass486.06
IUPAC NameN-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H24Cl2N2O3S2/c22-19-11-6-15(12-20(19)23)13-29-14-21(26)24-16-7-9-18(10-8-16)30(27,28)25-17-4-2-1-3-5-17/h6-12,17,25H,1-5,13-14H2,(H,24,26)
InChIKeyXRWJLAXQTWYPDW-UHFFFAOYSA-N
XLogP5.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.47
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309965
N-cyclopentyl-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309803
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
N-(4-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374352
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 2798260
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309885
3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 99968141
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 38016983
2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
CID 2228727

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide (CID 17310008) is N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide is O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
The InChIKey is XRWJLAXQTWYPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3S2/c22-19-11-6-15(12-20(19)23)13-29-14-21(26)24-16-7-9-18(10-8-16)30(27,28)25-17-4-2-1-3-5-17/h6-12,17,25H,1-5,13-14H2,(H,24,26).
What are the key properties of N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide has a molecular weight of 487.47 g/mol, XLogP of 5.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 17310008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).