2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)-4-methylsulfanylbutanamide

C18H23N3O3S2 — CID 24687372

IUPAC2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C18H23N3O3S2/c1-13-4-7-15(8-5-13)26(23,24)21-16(10-11-25-3)18(22)20-17-9-6-14(2)12-19-17/h4-9,12,16,21H,10-11H2,1-3H3,(H,19,20,22)
InChIKeyWDFLDUBJRUJMPY-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.74
Rot. Bonds8

About 2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)-4-methylsulfanylbutanamide

2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)-4-methylsulfanylbutanamide (PubChem CID 24687372) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
PubChem CID24687372
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C18H23N3O3S2/c1-13-4-7-15(8-5-13)26(23,24)21-16(10-11-25-3)18(22)20-17-9-6-14(2)12-19-17/h4-9,12,16,21H,10-11H2,1-3H3,(H,19,20,22)
InChIKeyWDFLDUBJRUJMPY-UHFFFAOYSA-N
XLogP2.74
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)benzenesulfonamide
CID 2953239
1-(4-Methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea
CID 4062849
3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide
CID 24685891
5-(tert-butylsulfamoyl)-2-methyl-N-(5-methylpyridin-2-yl)benzamide
CID 16354321
{4-[(dipropylamino)sulfonyl]phenyl}-N-(2-pyridyl)carboxamide
CID 17385730
(S)-3-cyclopentyl-2-(4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 54580432
(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide
CID 122490791
N-[4-[benzyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide
CID 1118249
N-(7-(isopropylsulfonyl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 57411324
(2S)-N-[(2S)-1-[(2S)-2-(benzenesulfonamidomethyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 73777109
4,N-Dimethyl-N-[4-oxo-4-(4-pyridin-2-yl-piperazin-1-yl)-butyl]-benzenesulfonamide
CID 651679
6-(benzylamino)-N,N-diethyl-3-pyridinesulfonamide
CID 829837

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)-4-methylsulfanylbutanamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)-4-methylsulfanylbutanamide (CID 24687372) is 2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)-4-methylsulfanylbutanamide is CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(C)cn1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)-4-methylsulfanylbutanamide?
The InChIKey is WDFLDUBJRUJMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-13-4-7-15(8-5-13)26(23,24)21-16(10-11-25-3)18(22)20-17-9-6-14(2)12-19-17/h4-9,12,16,21H,10-11H2,1-3H3,(H,19,20,22).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)-4-methylsulfanylbutanamide?
2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)-4-methylsulfanylbutanamide has a molecular weight of 393.53 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 24687372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).