N-cyclohexyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide

C24H28N4O4S2 — CID 3184417

IUPACN-cyclohexyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccs1)C(=O)CSc1nnc(COc2ccccc2)o1)NC1CCCCC1
InChIInChI=1S/C24H28N4O4S2/c29-21(25-18-8-3-1-4-9-18)15-28(14-20-12-7-13-33-20)23(30)17-34-24-27-26-22(32-24)16-31-19-10-5-2-6-11-19/h2,5-7,10-13,18H,1,3-4,8-9,14-17H2,(H,25,29)
InChIKeyNJQFHVYOQDRYMN-UHFFFAOYSA-N
MW500.65 g/mol
LogP4.28
Rot. Bonds11

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

N-cyclohexyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 3184417) has the molecular formula C24H28N4O4S2 and a molecular weight of 500.65 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID3184417
Molecular FormulaC24H28N4O4S2
Molecular Weight500.65 g/mol
Exact Mass500.16
IUPAC NameN-cyclohexyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccs1)C(=O)CSc1nnc(COc2ccccc2)o1)NC1CCCCC1
InChIInChI=1S/C24H28N4O4S2/c29-21(25-18-8-3-1-4-9-18)15-28(14-20-12-7-13-33-20)23(30)17-34-24-27-26-22(32-24)16-31-19-10-5-2-6-11-19/h2,5-7,10-13,18H,1,3-4,8-9,14-17H2,(H,25,29)
InChIKeyNJQFHVYOQDRYMN-UHFFFAOYSA-N
XLogP4.28
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide (CID 3184417) is N-cyclohexyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide is O=C(CN(Cc1cccs1)C(=O)CSc1nnc(COc2ccccc2)o1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is NJQFHVYOQDRYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S2/c29-21(25-18-8-3-1-4-9-18)15-28(14-20-12-7-13-33-20)23(30)17-34-24-27-26-22(32-24)16-31-19-10-5-2-6-11-19/h2,5-7,10-13,18H,1,3-4,8-9,14-17H2,(H,25,29).
What are the key properties of N-cyclohexyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
N-cyclohexyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 500.65 g/mol, XLogP of 4.28, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 3184417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).