N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide

C22H23N3O3S2 — CID 24571736

IUPACN-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide
SMILESCN(C)S(=O)(=O)c1ccc(SCC(=O)N(Cc2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C22H23N3O3S2/c1-24(2)30(27,28)20-13-14-21(23-15-20)29-17-22(26)25(19-11-7-4-8-12-19)16-18-9-5-3-6-10-18/h3-15H,16-17H2,1-2H3
InChIKeyBBTKTNXNVXQJCF-UHFFFAOYSA-N
MW441.58 g/mol
LogP3.66
Rot. Bonds8

About N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide

N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide (PubChem CID 24571736) has the molecular formula C22H23N3O3S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide
PubChem CID24571736
Molecular FormulaC22H23N3O3S2
Molecular Weight441.58 g/mol
Exact Mass441.12
IUPAC NameN-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide
SMILESCN(C)S(=O)(=O)c1ccc(SCC(=O)N(Cc2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C22H23N3O3S2/c1-24(2)30(27,28)20-13-14-21(23-15-20)29-17-22(26)25(19-11-7-4-8-12-19)16-18-9-5-3-6-10-18/h3-15H,16-17H2,1-2H3
InChIKeyBBTKTNXNVXQJCF-UHFFFAOYSA-N
XLogP3.66
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 18775229
N-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide
CID 17484516
N-benzyl-4-(dimethylsulfamoyl)-N-phenylbenzamide
CID 26731454
N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide
CID 7759924
ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate
CID 9283060
N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide
CID 29358517
N-(2-acetylphenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 7759654
N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 7759590
(2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 40646942
6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 24530942
N-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-3-oxo-3-pyrimidin-2-ylpropanamide
CID 505068
N-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 78796903

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide?
The IUPAC name of N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide (CID 24571736) is N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide is CN(C)S(=O)(=O)c1ccc(SCC(=O)N(Cc2ccccc2)c2ccccc2)nc1.
What is the InChIKey of N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide?
The InChIKey is BBTKTNXNVXQJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S2/c1-24(2)30(27,28)20-13-14-21(23-15-20)29-17-22(26)25(19-11-7-4-8-12-19)16-18-9-5-3-6-10-18/h3-15H,16-17H2,1-2H3.
What are the key properties of N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide?
N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide has a molecular weight of 441.58 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 24571736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).