2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide

C18H21ClN2O3S2 — CID 34079032

IUPAC2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CSc2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H21ClN2O3S2/c1-12-9-16(26(23,24)21(3)4)10-17(13(12)2)20-18(22)11-25-15-7-5-14(19)6-8-15/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyRDTQIKOTJULPRS-UHFFFAOYSA-N
MW412.96 g/mol
LogP3.94
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide (PubChem CID 34079032) has the molecular formula C18H21ClN2O3S2 and a molecular weight of 412.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
PubChem CID34079032
Molecular FormulaC18H21ClN2O3S2
Molecular Weight412.96 g/mol
Exact Mass412.07
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CSc2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H21ClN2O3S2/c1-12-9-16(26(23,24)21(3)4)10-17(13(12)2)20-18(22)11-25-15-7-5-14(19)6-8-15/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyRDTQIKOTJULPRS-UHFFFAOYSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24602003
2-(2,4-dichlorophenyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 27832730
2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24581900
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24652112
2-(4-bromophenyl)sulfanyl-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]acetamide
CID 25343529
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide
CID 39288353
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4983753
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide
CID 26723837
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 16541797
2-chloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 16564311
2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 735121
N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide
CID 38255563

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide (CID 34079032) is 2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CSc2ccc(Cl)cc2)c1C.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The InChIKey is RDTQIKOTJULPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S2/c1-12-9-16(26(23,24)21(3)4)10-17(13(12)2)20-18(22)11-25-15-7-5-14(19)6-8-15/h5-10H,11H2,1-4H3,(H,20,22).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide has a molecular weight of 412.96 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide is sourced from PubChem (CID 34079032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).