N-cyclopentyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide

C24H25FN4O4S — CID 652838

IUPACN-cyclopentyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide
SMILESO=C(CN(C(=O)CSc1nnc(COc2ccccc2)o1)c1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C24H25FN4O4S/c25-17-10-12-19(13-11-17)29(14-21(30)26-18-6-4-5-7-18)23(31)16-34-24-28-27-22(33-24)15-32-20-8-2-1-3-9-20/h1-3,8-13,18H,4-7,14-16H2,(H,26,30)
InChIKeyCXTSJYWISUMNLH-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.97
Rot. Bonds10

About N-cyclopentyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide

N-cyclopentyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide (PubChem CID 652838) has the molecular formula C24H25FN4O4S and a molecular weight of 484.55 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide
PubChem CID652838
Molecular FormulaC24H25FN4O4S
Molecular Weight484.55 g/mol
Exact Mass484.16
IUPAC NameN-cyclopentyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide
SMILESO=C(CN(C(=O)CSc1nnc(COc2ccccc2)o1)c1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C24H25FN4O4S/c25-17-10-12-19(13-11-17)29(14-21(30)26-18-6-4-5-7-18)23(31)16-34-24-28-27-22(33-24)15-32-20-8-2-1-3-9-20/h1-3,8-13,18H,4-7,14-16H2,(H,26,30)
InChIKeyCXTSJYWISUMNLH-UHFFFAOYSA-N
XLogP3.97
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide (CID 652838) is N-cyclopentyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide is O=C(CN(C(=O)CSc1nnc(COc2ccccc2)o1)c1ccc(F)cc1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide?
The InChIKey is CXTSJYWISUMNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4S/c25-17-10-12-19(13-11-17)29(14-21(30)26-18-6-4-5-7-18)23(31)16-34-24-28-27-22(33-24)15-32-20-8-2-1-3-9-20/h1-3,8-13,18H,4-7,14-16H2,(H,26,30).
What are the key properties of N-cyclopentyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide?
N-cyclopentyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide has a molecular weight of 484.55 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide is sourced from PubChem (CID 652838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).