2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide

C20H26N4O3S — CID 55764860

IUPAC2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide
SMILESCC(C)(C)c1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)o1
InChIInChI=1S/C20H26N4O3S/c1-20(2,3)18-23-24-19(27-18)28-12-16(25)22-15-11-7-6-10-14(15)17(26)21-13-8-4-5-9-13/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyVIOOPTSEPOZWHK-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.77
Rot. Bonds6

About 2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide

2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide (PubChem CID 55764860) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide
PubChem CID55764860
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide
SMILESCC(C)(C)c1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)o1
InChIInChI=1S/C20H26N4O3S/c1-20(2,3)18-23-24-19(27-18)28-12-16(25)22-15-11-7-6-10-14(15)17(26)21-13-8-4-5-9-13/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyVIOOPTSEPOZWHK-UHFFFAOYSA-N
XLogP3.77
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 16537065
N-cyclopentyl-2-[[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 112782864
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide
CID 55765204
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 7820287
N-cyclopentyl-2-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 8724224
N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
CID 7784903
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclopentyl-2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 27988089
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 55764742
N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 2621097
N-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide
CID 17391075

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide?
The IUPAC name of 2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide (CID 55764860) is 2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide.
What is the SMILES notation for 2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide?
The canonical SMILES for 2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide is CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)o1.
What is the InChIKey of 2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide?
The InChIKey is VIOOPTSEPOZWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-20(2,3)18-23-24-19(27-18)28-12-16(25)22-15-11-7-6-10-14(15)17(26)21-13-8-4-5-9-13/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,21,26)(H,22,25).
What are the key properties of 2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide?
2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide has a molecular weight of 402.52 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide is sourced from PubChem (CID 55764860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).