N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide

C18H21ClN2O3S2 — CID 7654876

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C18H21ClN2O3S2/c1-13-6-4-5-7-14(13)11-25-12-18(22)20-17-10-15(8-9-16(17)19)26(23,24)21(2)3/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyXDBNMGXWKHFBIX-UHFFFAOYSA-N
MW412.96 g/mol
LogP3.77
Rot. Bonds7

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 7654876) has the molecular formula C18H21ClN2O3S2 and a molecular weight of 412.96 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID7654876
Molecular FormulaC18H21ClN2O3S2
Molecular Weight412.96 g/mol
Exact Mass412.07
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C18H21ClN2O3S2/c1-13-6-4-5-7-14(13)11-25-12-18(22)20-17-10-15(8-9-16(17)19)26(23,24)21(2)3/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyXDBNMGXWKHFBIX-UHFFFAOYSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 4869977
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4983753
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 43000871
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide
CID 21339599
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4804966
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium
CID 8867441
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035389
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4022238
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide
CID 51170623
N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62770873
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 4072184

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 7654876) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is XDBNMGXWKHFBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S2/c1-13-6-4-5-7-14(13)11-25-12-18(22)20-17-10-15(8-9-16(17)19)26(23,24)21(2)3/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 412.96 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 7654876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).