4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide

C16H15N3O5S2 — CID 110632085

IUPAC4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1S(C)(=O)=O
InChIInChI=1S/C16H15N3O5S2/c1-23-11-6-5-10(8-13(11)26(2,21)22)16(20)17-9-14-18-15(19-24-14)12-4-3-7-25-12/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyHESLDMJAWCIIHN-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.14
Rot. Bonds6

About 4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide

4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 110632085) has the molecular formula C16H15N3O5S2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID110632085
Molecular FormulaC16H15N3O5S2
Molecular Weight393.45 g/mol
Exact Mass393.05
IUPAC Name4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1S(C)(=O)=O
InChIInChI=1S/C16H15N3O5S2/c1-23-11-6-5-10(8-13(11)26(2,21)22)16(20)17-9-14-18-15(19-24-14)12-4-3-7-25-12/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyHESLDMJAWCIIHN-UHFFFAOYSA-N
XLogP2.14
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,4-dimethoxy-N-[(Z)-3-oxo-1-thiophen-2-yl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]prop-1-en-2-yl]benzamide
CID 100602635
4-fluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 27261087
4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 110675023
3-methyl-4-nitro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 92801391
4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 51096359
N-[(5-chloro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 19589384
2,5-dimethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 110323254
4-methoxy-N-methyl-3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 87001861
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
CID 17439609
3-bromo-5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 110632140
2-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 93173363
3-(3,5-dimethoxyphenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 51127201

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 110632085) is 4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide is COc1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1S(C)(=O)=O.
What is the InChIKey of 4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is HESLDMJAWCIIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S2/c1-23-11-6-5-10(8-13(11)26(2,21)22)16(20)17-9-14-18-15(19-24-14)12-4-3-7-25-12/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of 4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 393.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 110632085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).