2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide

C19H20N4O3S2 — CID 3779859

IUPAC2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)sc2=NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H20N4O3S2/c1-13-4-8-16(9-5-13)20-18(24)12-23-19(27-15(3)21-23)22-28(25,26)17-10-6-14(2)7-11-17/h4-11H,12H2,1-3H3,(H,20,24)
InChIKeyGILNWXJPFYCJKN-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.80
Rot. Bonds5

About 2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide

2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide (PubChem CID 3779859) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide
PubChem CID3779859
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC Name2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)sc2=NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H20N4O3S2/c1-13-4-8-16(9-5-13)20-18(24)12-23-19(27-15(3)21-23)22-28(25,26)17-10-6-14(2)7-11-17/h4-11H,12H2,1-3H3,(H,20,24)
InChIKeyGILNWXJPFYCJKN-UHFFFAOYSA-N
XLogP2.80
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
2-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164613915
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
N~1~-ethyl-N~2~-(4-methylphenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2250796
S-(2-[(4-methylphenyl)amino]-2-{[(4-methylphenyl)sulfonyl]imino}ethyl) thiocarbamate
CID 5787791
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methyl-4-piperidinylidene)amino]acetamide
CID 3435922
N-(4-carbamimidoylphenyl)-4-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]pentanamide
CID 145961875
(NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 136124399
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide
CID 1330740
2-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(phenyl)amino]-N'-isopropylideneacetohydrazide
CID 1355543
N-(4-ethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2301261
N-butyl-4-methyl-N-(3-oxo-4H-quinoxalin-2-yl)benzenesulfonamide
CID 2483912

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide (CID 3779859) is 2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc(C)sc2=NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is GILNWXJPFYCJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-13-4-8-16(9-5-13)20-18(24)12-23-19(27-15(3)21-23)22-28(25,26)17-10-6-14(2)7-11-17/h4-11H,12H2,1-3H3,(H,20,24).
What are the key properties of 2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide?
2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 416.53 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3779859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).