5-chloro-2-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,3-dimethylbenzamide

C19H16ClFN4O3S — CID 139237661

IUPAC5-chloro-2-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1cc(Cl)cc(C)c1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H16ClFN4O3S/c1-10-7-12(20)8-14(17(27)22-2)16(10)23-15(26)9-29-19-25-24-18(28-19)11-3-5-13(21)6-4-11/h3-8H,9H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyREXQUCXDSBGFJO-UHFFFAOYSA-N
MW434.88 g/mol
LogP3.93
Rot. Bonds6

About 5-chloro-2-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,3-dimethylbenzamide

5-chloro-2-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,3-dimethylbenzamide (PubChem CID 139237661) has the molecular formula C19H16ClFN4O3S and a molecular weight of 434.88 g/mol. Its IUPAC name is 5-chloro-2-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name5-chloro-2-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,3-dimethylbenzamide
PubChem CID139237661
Molecular FormulaC19H16ClFN4O3S
Molecular Weight434.88 g/mol
Exact Mass434.06
IUPAC Name5-chloro-2-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1cc(Cl)cc(C)c1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H16ClFN4O3S/c1-10-7-12(20)8-14(17(27)22-2)16(10)23-15(26)9-29-19-25-24-18(28-19)11-3-5-13(21)6-4-11/h3-8H,9H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyREXQUCXDSBGFJO-UHFFFAOYSA-N
XLogP3.93
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,3-dimethylbenzamide with MolForge

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Related Compounds

2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 4528545
N-(5-chloro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5021341
N-(2-ethyl-6-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4039570
N-(4-bromo-2,6-dimethylphenyl)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126177183
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-4-ylacetamide
CID 5240924
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7907035
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 78762696
N-(2-bromo-4,6-difluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3949295
N-(5-chloro-2-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7403177
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 3888191
N-(5-acetamido-2-fluorophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 55551642
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,3-dimethylbenzamide?
The IUPAC name of 5-chloro-2-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,3-dimethylbenzamide (CID 139237661) is 5-chloro-2-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,3-dimethylbenzamide.
What is the SMILES notation for 5-chloro-2-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,3-dimethylbenzamide?
The canonical SMILES for 5-chloro-2-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,3-dimethylbenzamide is CNC(=O)c1cc(Cl)cc(C)c1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-chloro-2-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,3-dimethylbenzamide?
The InChIKey is REXQUCXDSBGFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O3S/c1-10-7-12(20)8-14(17(27)22-2)16(10)23-15(26)9-29-19-25-24-18(28-19)11-3-5-13(21)6-4-11/h3-8H,9H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 5-chloro-2-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,3-dimethylbenzamide?
5-chloro-2-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,3-dimethylbenzamide has a molecular weight of 434.88 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,3-dimethylbenzamide is sourced from PubChem (CID 139237661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).