2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide

C17H20ClN3O3S2 — CID 24602003

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CSc2ncccc2Cl)c1C
InChIInChI=1S/C17H20ClN3O3S2/c1-11-8-13(26(23,24)21(3)4)9-15(12(11)2)20-16(22)10-25-17-14(18)6-5-7-19-17/h5-9H,10H2,1-4H3,(H,20,22)
InChIKeyAFOOCRXZEIYEFY-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.33
Rot. Bonds6

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide (PubChem CID 24602003) has the molecular formula C17H20ClN3O3S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
PubChem CID24602003
Molecular FormulaC17H20ClN3O3S2
Molecular Weight413.95 g/mol
Exact Mass413.06
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CSc2ncccc2Cl)c1C
InChIInChI=1S/C17H20ClN3O3S2/c1-11-8-13(26(23,24)21(3)4)9-15(12(11)2)20-16(22)10-25-17-14(18)6-5-7-19-17/h5-9H,10H2,1-4H3,(H,20,22)
InChIKeyAFOOCRXZEIYEFY-UHFFFAOYSA-N
XLogP3.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 34079032
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24652112
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 46693870
2-chloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 16564311
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide
CID 39288353
2-(2,4-dichlorophenyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 27832730
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7654876
3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 9050460
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide
CID 41328384
N-(2-chloro-3-pyridinyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 18276902
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4983753
2-(2,6-dichlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 18777757

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide (CID 24602003) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CSc2ncccc2Cl)c1C.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The InChIKey is AFOOCRXZEIYEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S2/c1-11-8-13(26(23,24)21(3)4)9-15(12(11)2)20-16(22)10-25-17-14(18)6-5-7-19-17/h5-9H,10H2,1-4H3,(H,20,22).
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide has a molecular weight of 413.95 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide is sourced from PubChem (CID 24602003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).