2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C21H18N4O4S2 — CID 4069420

IUPAC2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(-c2nnc(S(=O)(=O)CC(=O)Nc3nc(-c4ccccc4)cs3)o2)cc1C
InChIInChI=1S/C21H18N4O4S2/c1-13-8-9-16(10-14(13)2)19-24-25-21(29-19)31(27,28)12-18(26)23-20-22-17(11-30-20)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,22,23,26)
InChIKeyOUPQFDREVUOGSY-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.89
Rot. Bonds6

About 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 4069420) has the molecular formula C21H18N4O4S2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID4069420
Molecular FormulaC21H18N4O4S2
Molecular Weight454.53 g/mol
Exact Mass454.08
IUPAC Name2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(-c2nnc(S(=O)(=O)CC(=O)Nc3nc(-c4ccccc4)cs3)o2)cc1C
InChIInChI=1S/C21H18N4O4S2/c1-13-8-9-16(10-14(13)2)19-24-25-21(29-19)31(27,28)12-18(26)23-20-22-17(11-30-20)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,22,23,26)
InChIKeyOUPQFDREVUOGSY-UHFFFAOYSA-N
XLogP3.89
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(benzenesulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7202561
2-(benzenesulfonyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7544449
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 38846610
N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide
CID 1412311
3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19183949
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide
CID 4588547
2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7915491
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide
CID 1479354
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 55437142
2-(4-chlorophenyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7543926
3-(3-chloro-4-methylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 18267524
2-(4-benzylpiperazin-1-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22198175

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 4069420) is 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is Cc1ccc(-c2nnc(S(=O)(=O)CC(=O)Nc3nc(-c4ccccc4)cs3)o2)cc1C.
What is the InChIKey of 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is OUPQFDREVUOGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S2/c1-13-8-9-16(10-14(13)2)19-24-25-21(29-19)31(27,28)12-18(26)23-20-22-17(11-30-20)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,22,23,26).
What are the key properties of 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 454.53 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4069420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).