N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propylacetamide

C19H21ClN4O4S2 — CID 55368247

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propylacetamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H21ClN4O4S2/c1-3-10-24(17(25)13-23(2)30(26,27)18-9-6-11-29-18)12-16-21-22-19(28-16)14-7-4-5-8-15(14)20/h4-9,11H,3,10,12-13H2,1-2H3
InChIKeyRYCYUAAAXOBDHO-UHFFFAOYSA-N
MW468.99 g/mol
LogP3.51
Rot. Bonds9

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propylacetamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propylacetamide (PubChem CID 55368247) has the molecular formula C19H21ClN4O4S2 and a molecular weight of 468.99 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propylacetamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propylacetamide
PubChem CID55368247
Molecular FormulaC19H21ClN4O4S2
Molecular Weight468.99 g/mol
Exact Mass468.07
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propylacetamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H21ClN4O4S2/c1-3-10-24(17(25)13-23(2)30(26,27)18-9-6-11-29-18)12-16-21-22-19(28-16)14-7-4-5-8-15(14)20/h4-9,11H,3,10,12-13H2,1-2H3
InChIKeyRYCYUAAAXOBDHO-UHFFFAOYSA-N
XLogP3.51
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylthiophene-2-carboxamide
CID 78788619
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide
CID 78788628
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-nitrophenyl)-N-propylacetamide
CID 55361092
N-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55373022
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,2-diphenyl-N-propylacetamide
CID 55361278
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(dimethylsulfamoyl)-N-propylbenzamide
CID 55361291
2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide
CID 55361069
2-[(4-chlorophenyl)methylsulfanyl]-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide
CID 55361355
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide
CID 55361063
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propylacetamide
CID 55361158
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 134021234
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 55494480

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propylacetamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propylacetamide (CID 55368247) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propylacetamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propylacetamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propylacetamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propylacetamide?
The InChIKey is RYCYUAAAXOBDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4S2/c1-3-10-24(17(25)13-23(2)30(26,27)18-9-6-11-29-18)12-16-21-22-19(28-16)14-7-4-5-8-15(14)20/h4-9,11H,3,10,12-13H2,1-2H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propylacetamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propylacetamide has a molecular weight of 468.99 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propylacetamide is sourced from PubChem (CID 55368247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).