N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide

C21H20N4O4S — CID 2051205

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H20N4O4S/c26-19(22-21-24-23-20(29-21)16-7-8-16)15-9-11-17(12-10-15)30(27,28)25-13-3-5-14-4-1-2-6-18(14)25/h1-2,4,6,9-12,16H,3,5,7-8,13H2,(H,22,24,26)
InChIKeyHIJRXVCKOPPSKV-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.34
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide (PubChem CID 2051205) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
PubChem CID2051205
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H20N4O4S/c26-19(22-21-24-23-20(29-21)16-7-8-16)15-9-11-17(12-10-15)30(27,28)25-13-3-5-14-4-1-2-6-18(14)25/h1-2,4,6,9-12,16H,3,5,7-8,13H2,(H,22,24,26)
InChIKeyHIJRXVCKOPPSKV-UHFFFAOYSA-N
XLogP3.34
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide (CID 2051205) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide is O=C(Nc1nnc(C2CC2)o1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide?
The InChIKey is HIJRXVCKOPPSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c26-19(22-21-24-23-20(29-21)16-7-8-16)15-9-11-17(12-10-15)30(27,28)25-13-3-5-14-4-1-2-6-18(14)25/h1-2,4,6,9-12,16H,3,5,7-8,13H2,(H,22,24,26).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide has a molecular weight of 424.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide is sourced from PubChem (CID 2051205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).