N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide

C22H22N4O3S — CID 16537065

IUPACN-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C22H22N4O3S/c27-19(14-30-22-26-25-21(29-22)15-8-2-1-3-9-15)24-18-13-7-6-12-17(18)20(28)23-16-10-4-5-11-16/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,23,28)(H,24,27)
InChIKeyXVSVKXBUGIKZFS-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.14
Rot. Bonds7

About N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide

N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 16537065) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
PubChem CID16537065
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C22H22N4O3S/c27-19(14-30-22-26-25-21(29-22)15-8-2-1-3-9-15)24-18-13-7-6-12-17(18)20(28)23-16-10-4-5-11-16/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,23,28)(H,24,27)
InChIKeyXVSVKXBUGIKZFS-UHFFFAOYSA-N
XLogP4.14
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 112782864
2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide
CID 55764860
2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 27917055
2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 51140659
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 2621097
N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
CID 7784903
N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 7820287
N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78762625
N-cyclopentyl-2-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 8724224
N-(cyclohexylcarbamoyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4804307
N-cycloheptyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7417737

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide (CID 16537065) is N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide is O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide?
The InChIKey is XVSVKXBUGIKZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c27-19(14-30-22-26-25-21(29-22)15-8-2-1-3-9-15)24-18-13-7-6-12-17(18)20(28)23-16-10-4-5-11-16/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,23,28)(H,24,27).
What are the key properties of N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide?
N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 422.51 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 16537065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).