N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

C20H23N3O4S — CID 50747540

IUPACN-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCCCc1noc(-c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2OC)n1
InChIInChI=1S/C20H23N3O4S/c1-4-8-19-21-20(27-22-19)17-13-16(11-12-18(17)26-3)28(24,25)23(2)14-15-9-6-5-7-10-15/h5-7,9-13H,4,8,14H2,1-3H3
InChIKeyREBVNVYUIAETHD-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.52
Rot. Bonds8

About N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 50747540) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID50747540
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCCCc1noc(-c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2OC)n1
InChIInChI=1S/C20H23N3O4S/c1-4-8-19-21-20(27-22-19)17-13-16(11-12-18(17)26-3)28(24,25)23(2)14-15-9-6-5-7-10-15/h5-7,9-13H,4,8,14H2,1-3H3
InChIKeyREBVNVYUIAETHD-UHFFFAOYSA-N
XLogP3.52
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide 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

4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747503
N-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747600
N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747563
4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747612
5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole
CID 50747574
N-[(4-chlorophenyl)methyl]-4-ethoxy-N-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747649
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N-[2-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methoxy-N-methylbenzenesulfonamide
CID 53055889
5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide
CID 53055879
4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide
CID 141141198
N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 9267358
5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole
CID 768428

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (CID 50747540) is N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is CCCc1noc(-c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2OC)n1.
What is the InChIKey of N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is REBVNVYUIAETHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-4-8-19-21-20(27-22-19)17-13-16(11-12-18(17)26-3)28(24,25)23(2)14-15-9-6-5-7-10-15/h5-7,9-13H,4,8,14H2,1-3H3.
What are the key properties of N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 50747540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).