N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide

C23H25N3O3S2 — CID 18775229

IUPACN-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(N(Cc2ccccc2)C(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)c1
InChIInChI=1S/C23H25N3O3S2/c1-18-8-7-11-20(14-18)26(16-19-9-5-4-6-10-19)23(27)17-30-22-13-12-21(15-24-22)31(28,29)25(2)3/h4-15H,16-17H2,1-3H3
InChIKeyLTFFRFUNZTVIJA-UHFFFAOYSA-N
MW455.61 g/mol
LogP3.97
Rot. Bonds8

About N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide

N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide (PubChem CID 18775229) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide
PubChem CID18775229
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC NameN-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(N(Cc2ccccc2)C(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)c1
InChIInChI=1S/C23H25N3O3S2/c1-18-8-7-11-20(14-18)26(16-19-9-5-4-6-10-19)23(27)17-30-22-13-12-21(15-24-22)31(28,29)25(2)3/h4-15H,16-17H2,1-3H3
InChIKeyLTFFRFUNZTVIJA-UHFFFAOYSA-N
XLogP3.97
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide
CID 24571736
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide
CID 40663508
N-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide
CID 17484516
N-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-3-oxo-3-pyrimidin-2-ylpropanamide
CID 505068
ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate
CID 9283060
N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
CID 134007805
N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide
CID 7759924
N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide
CID 29358517
N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide
CID 30123931
6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 24530942
N-benzyl-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 30926955
N-benzyl-4-(dimethylsulfamoyl)-N-phenylbenzamide
CID 26731454

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide (CID 18775229) is N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide is Cc1cccc(N(Cc2ccccc2)C(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)c1.
What is the InChIKey of N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide?
The InChIKey is LTFFRFUNZTVIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-18-8-7-11-20(14-18)26(16-19-9-5-4-6-10-19)23(27)17-30-22-13-12-21(15-24-22)31(28,29)25(2)3/h4-15H,16-17H2,1-3H3.
What are the key properties of N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide?
N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide has a molecular weight of 455.61 g/mol, XLogP of 3.97, 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 18775229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).