N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide

C18H21ClN2O3S2 — CID 100565594

IUPACN-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)NCCCc2ccccc2Cl)cc1NC(C)=O
InChIInChI=1S/C18H21ClN2O3S2/c1-13(22)21-17-12-15(9-10-18(17)25-2)26(23,24)20-11-5-7-14-6-3-4-8-16(14)19/h3-4,6,8-10,12,20H,5,7,11H2,1-2H3,(H,21,22)
InChIKeyXCPLCXZZWPDWQT-UHFFFAOYSA-N
MW412.96 g/mol
LogP3.93
Rot. Bonds8

About N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide

N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide (PubChem CID 100565594) has the molecular formula C18H21ClN2O3S2 and a molecular weight of 412.96 g/mol. Its IUPAC name is N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide
PubChem CID100565594
Molecular FormulaC18H21ClN2O3S2
Molecular Weight412.96 g/mol
Exact Mass412.07
IUPAC NameN-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)NCCCc2ccccc2Cl)cc1NC(C)=O
InChIInChI=1S/C18H21ClN2O3S2/c1-13(22)21-17-12-15(9-10-18(17)25-2)26(23,24)20-11-5-7-14-6-3-4-8-16(14)19/h3-4,6,8-10,12,20H,5,7,11H2,1-2H3,(H,21,22)
InChIKeyXCPLCXZZWPDWQT-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100553378
N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100537759
N-[2-chloro-4-[(2-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 25037659
N-[5-[3-(4-ethoxyphenyl)propylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100641134
N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide
CID 100732898
N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100574955
N-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100545643
N-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 133164856
N-[4-(2-chlorophenyl)butyl]-1,3-benzodioxole-5-sulfonamide
CID 110409301
N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide
CID 9165246
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100573030
N-[5-[(2,5-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100578977

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide (CID 100565594) is N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide is CSc1ccc(S(=O)(=O)NCCCc2ccccc2Cl)cc1NC(C)=O.
What is the InChIKey of N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is XCPLCXZZWPDWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S2/c1-13(22)21-17-12-15(9-10-18(17)25-2)26(23,24)20-11-5-7-14-6-3-4-8-16(14)19/h3-4,6,8-10,12,20H,5,7,11H2,1-2H3,(H,21,22).
What are the key properties of N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide?
N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 412.96 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 100565594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).