N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide

C16H14N4O4S — CID 38136167

IUPACN-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)c1
InChIInChI=1S/C16H14N4O4S/c1-17-14(22)10-4-2-5-11(8-10)18-13(21)9-20-16(23)24-15(19-20)12-6-3-7-25-12/h2-8H,9H2,1H3,(H,17,22)(H,18,21)
InChIKeyISAPBTIIQWDMQY-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.56
Rot. Bonds5

About N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide

N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide (PubChem CID 38136167) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide
PubChem CID38136167
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC NameN-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)c1
InChIInChI=1S/C16H14N4O4S/c1-17-14(22)10-4-2-5-11(8-10)18-13(21)9-20-16(23)24-15(19-20)12-6-3-7-25-12/h2-8H,9H2,1H3,(H,17,22)(H,18,21)
InChIKeyISAPBTIIQWDMQY-UHFFFAOYSA-N
XLogP1.56
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide
CID 18131505
N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 8582324
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 34773509
N-(2-methyl-1-phenylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 51288245
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 36764449
3-methyl-N-[4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]butanamide
CID 27144372
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylphenyl)acetamide
CID 26566443
2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 27144414
N-methyl-4-[[methyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide
CID 36742051
3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 30661160
[4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea
CID 34006331
methyl 4,5-dimethyl-2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]thiophene-3-carboxylate
CID 27144348

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide (CID 38136167) is N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)c1.
What is the InChIKey of N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide?
The InChIKey is ISAPBTIIQWDMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c1-17-14(22)10-4-2-5-11(8-10)18-13(21)9-20-16(23)24-15(19-20)12-6-3-7-25-12/h2-8H,9H2,1H3,(H,17,22)(H,18,21).
What are the key properties of N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide?
N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide has a molecular weight of 358.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 38136167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).