4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide

C20H21N3O4S2 — CID 43974118

IUPAC4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
SMILESCSc1ccc(Cc2nnc(NC(=O)CCCS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C20H21N3O4S2/c1-28-16-11-9-15(10-12-16)14-19-22-23-20(27-19)21-18(24)8-5-13-29(25,26)17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,21,23,24)
InChIKeyWOILAXIEIVELNW-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.57
Rot. Bonds9

About 4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide

4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide (PubChem CID 43974118) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
PubChem CID43974118
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
SMILESCSc1ccc(Cc2nnc(NC(=O)CCCS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C20H21N3O4S2/c1-28-16-11-9-15(10-12-16)14-19-22-23-20(27-19)21-18(24)8-5-13-29(25,26)17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,21,23,24)
InChIKeyWOILAXIEIVELNW-UHFFFAOYSA-N
XLogP3.57
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide 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

3-(4-chlorophenyl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43974095
N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 43974113
3-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43974123
3-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 16917587
4-(4-chlorophenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
CID 43974664
4-(benzenesulfonyl)-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 44921689
4-(4-fluorophenyl)sulfonyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 44921691
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide
CID 44921962
3-ethylsulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974102
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 44921833
3-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43973273
2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974150

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide (CID 43974118) is 4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide is CSc1ccc(Cc2nnc(NC(=O)CCCS(=O)(=O)c3ccccc3)o2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide?
The InChIKey is WOILAXIEIVELNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-28-16-11-9-15(10-12-16)14-19-22-23-20(27-19)21-18(24)8-5-13-29(25,26)17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,21,23,24).
What are the key properties of 4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide?
4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide has a molecular weight of 431.54 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide is sourced from PubChem (CID 43974118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).