(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl) N-[2-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]amino]-2-oxoethyl]carbamate

C24H29N5O4S — CID 25116225

IUPAC(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl) N-[2-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]amino]-2-oxoethyl]carbamate
SMILESCN(C)C(c1ccccc1)C1CCC(NC(=O)CNC(=O)Oc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C24H29N5O4S/c1-29(2)21(16-7-4-3-5-8-16)17-10-12-18(13-11-17)26-20(30)15-25-23(31)32-24-27-22(28-33-24)19-9-6-14-34-19/h3-9,14,17-18,21H,10-13,15H2,1-2H3,(H,25,31)(H,26,30)
InChIKeyAJWURBFRDGJNCP-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.86
Rot. Bonds8

About (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl) N-[2-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]amino]-2-oxoethyl]carbamate

(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl) N-[2-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]amino]-2-oxoethyl]carbamate (PubChem CID 25116225) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl) N-[2-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Name(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl) N-[2-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]amino]-2-oxoethyl]carbamate
PubChem CID25116225
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC Name(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl) N-[2-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]amino]-2-oxoethyl]carbamate
SMILESCN(C)C(c1ccccc1)C1CCC(NC(=O)CNC(=O)Oc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C24H29N5O4S/c1-29(2)21(16-7-4-3-5-8-16)17-10-12-18(13-11-17)26-20(30)15-25-23(31)32-24-27-22(28-33-24)19-9-6-14-34-19/h3-9,14,17-18,21H,10-13,15H2,1-2H3,(H,25,31)(H,26,30)
InChIKeyAJWURBFRDGJNCP-UHFFFAOYSA-N
XLogP3.86
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl) N-[2-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl) N-[2-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]amino]-2-oxoethyl]carbamate (CID 25116225) is (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl) N-[2-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl) N-[2-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl) N-[2-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]amino]-2-oxoethyl]carbamate is CN(C)C(c1ccccc1)C1CCC(NC(=O)CNC(=O)Oc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl) N-[2-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]amino]-2-oxoethyl]carbamate?
The InChIKey is AJWURBFRDGJNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-29(2)21(16-7-4-3-5-8-16)17-10-12-18(13-11-17)26-20(30)15-25-23(31)32-24-27-22(28-33-24)19-9-6-14-34-19/h3-9,14,17-18,21H,10-13,15H2,1-2H3,(H,25,31)(H,26,30).
What are the key properties of (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl) N-[2-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]amino]-2-oxoethyl]carbamate?
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl) N-[2-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]amino]-2-oxoethyl]carbamate has a molecular weight of 483.59 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl) N-[2-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 25116225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).