2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide

C18H15N3O3S3 — CID 50822038

IUPAC2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
SMILESCc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C18H15N3O3S3/c1-12-16(27(22,23)19-11-14-8-5-9-25-14)10-15(26-12)18-20-17(21-24-18)13-6-3-2-4-7-13/h2-10,19H,11H2,1H3
InChIKeyNIGCUXLNBRVZPZ-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.31
Rot. Bonds6

About 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide

2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide (PubChem CID 50822038) has the molecular formula C18H15N3O3S3 and a molecular weight of 417.54 g/mol. Its IUPAC name is 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
PubChem CID50822038
Molecular FormulaC18H15N3O3S3
Molecular Weight417.54 g/mol
Exact Mass417.03
IUPAC Name2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
SMILESCc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C18H15N3O3S3/c1-12-16(27(22,23)19-11-14-8-5-9-25-14)10-15(26-12)18-20-17(21-24-18)13-6-3-2-4-7-13/h2-10,19H,11H2,1H3
InChIKeyNIGCUXLNBRVZPZ-UHFFFAOYSA-N
XLogP4.31
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 50821694
N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821805
N-[(4-fluorophenyl)methyl]-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821963
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50822110
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 53056993
N-(4-fluoro-2-methylphenyl)-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821747
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 53095647
2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 46332101
5-[4-(azepan-1-ylsulfonyl)-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822010
N-(1,3-benzodioxol-5-ylmethyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821350
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 46380257
N-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821260

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide (CID 50822038) is 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide is Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NCc1cccs1.
What is the InChIKey of 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is NIGCUXLNBRVZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S3/c1-12-16(27(22,23)19-11-14-8-5-9-25-14)10-15(26-12)18-20-17(21-24-18)13-6-3-2-4-7-13/h2-10,19H,11H2,1H3.
What are the key properties of 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide?
2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 417.54 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 50822038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).