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

C25H27FN4O4S — CID 647334

IUPACN-cyclohexyl-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)NC1CCCCC1
InChIInChI=1S/C25H27FN4O4S/c26-18-11-13-20(14-12-18)30(15-22(31)27-19-7-3-1-4-8-19)24(32)17-35-25-29-28-23(34-25)16-33-21-9-5-2-6-10-21/h2,5-6,9-14,19H,1,3-4,7-8,15-17H2,(H,27,31)
InChIKeyXCWQKRZXMUBMQG-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.36
Rot. Bonds10

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

N-cyclohexyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide (PubChem CID 647334) has the molecular formula C25H27FN4O4S and a molecular weight of 498.58 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide
PubChem CID647334
Molecular FormulaC25H27FN4O4S
Molecular Weight498.58 g/mol
Exact Mass498.17
IUPAC NameN-cyclohexyl-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)NC1CCCCC1
InChIInChI=1S/C25H27FN4O4S/c26-18-11-13-20(14-12-18)30(15-22(31)27-19-7-3-1-4-8-19)24(32)17-35-25-29-28-23(34-25)16-33-21-9-5-2-6-10-21/h2,5-6,9-14,19H,1,3-4,7-8,15-17H2,(H,27,31)
InChIKeyXCWQKRZXMUBMQG-UHFFFAOYSA-N
XLogP4.36
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenoxy)-N-{[5-({2-[(2-ethoxyphenyl)amino]-2-oxoethyl}thio)-1,3,4-oxadiazol-2-yl]methyl}acetamide
CID 3240185
1-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-2-(5-phenylaminomethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 650075
N-Cyclopentylcarbamoylmethyl-N-(4-fluoro-phenyl)-2-(5-phenoxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 652838
N-(2-Methoxy-phenyl)-2-{5-[(4-methoxy-phenylamino)-methyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 1170150
2-((5-((4-Chlorophenoxy)methyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2155838
4-[2-[[5-[(3-Methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 2562515
2-(4-chlorophenoxy)-N-{[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}thio)-1,3,4-oxadiazol-2-yl]methyl}acetamide
CID 3242235
2-(4-Chlorophenoxy)-N-{[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}acetamide
CID 3573405
2-(4-chlorophenoxy)-N-{[5-({2-[(2,4-difluorophenyl)amino]-2-oxoethyl}thio)-1,3,4-oxadiazol-2-yl]methyl}acetamide
CID 4610894
2-({5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-[4-(morpholin-4-yl)phenyl]acetamide
CID 6495943
2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 16319067
N-(1,1-dioxothiolan-3-yl)-2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 16329671

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide (CID 647334) is N-cyclohexyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide?
The canonical SMILES for N-cyclohexyl-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)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide?
The InChIKey is XCWQKRZXMUBMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4S/c26-18-11-13-20(14-12-18)30(15-22(31)27-19-7-3-1-4-8-19)24(32)17-35-25-29-28-23(34-25)16-33-21-9-5-2-6-10-21/h2,5-6,9-14,19H,1,3-4,7-8,15-17H2,(H,27,31).
What are the key properties of N-cyclohexyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide?
N-cyclohexyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide has a molecular weight of 498.58 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-fluoro-N-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetamide is sourced from PubChem (CID 647334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).