N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide

C20H21N3O7S2 — CID 44921833

IUPACN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
SMILESCOc1ccc(S(=O)(=O)CCCC(=O)Nc2nnc(CS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C20H21N3O7S2/c1-29-15-9-11-17(12-10-15)31(25,26)13-5-8-18(24)21-20-23-22-19(30-20)14-32(27,28)16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,21,23,24)
InChIKeyTWLUVAVRCGOPHQ-UHFFFAOYSA-N
MW479.54 g/mol
LogP2.24
Rot. Bonds10

About N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide

N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide (PubChem CID 44921833) has the molecular formula C20H21N3O7S2 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
PubChem CID44921833
Molecular FormulaC20H21N3O7S2
Molecular Weight479.54 g/mol
Exact Mass479.08
IUPAC NameN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
SMILESCOc1ccc(S(=O)(=O)CCCC(=O)Nc2nnc(CS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C20H21N3O7S2/c1-29-15-9-11-17(12-10-15)31(25,26)13-5-8-18(24)21-20-23-22-19(30-20)14-32(27,28)16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,21,23,24)
InChIKeyTWLUVAVRCGOPHQ-UHFFFAOYSA-N
XLogP2.24
TPSA145.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide 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-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 16823725
4-(4-methoxyphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide
CID 41273921
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273846
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 90603240
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273919
4-(benzenesulfonyl)-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 44921689
4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 16854630
4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
CID 43974118
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 41273518
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273832
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 7544170
3-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43974123

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide?
The IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide (CID 44921833) is N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide.
What is the SMILES notation for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide?
The canonical SMILES for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide is COc1ccc(S(=O)(=O)CCCC(=O)Nc2nnc(CS(=O)(=O)c3ccccc3)o2)cc1.
What is the InChIKey of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide?
The InChIKey is TWLUVAVRCGOPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O7S2/c1-29-15-9-11-17(12-10-15)31(25,26)13-5-8-18(24)21-20-23-22-19(30-20)14-32(27,28)16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,21,23,24).
What are the key properties of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide?
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide has a molecular weight of 479.54 g/mol, XLogP of 2.24, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide is sourced from PubChem (CID 44921833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).