N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide

C14H13N3O4S2 — CID 110320059

IUPACN-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide
SMILESCOc1cccc(-c2nnc(CNS(=O)(=O)c3cccs3)o2)c1
InChIInChI=1S/C14H13N3O4S2/c1-20-11-5-2-4-10(8-11)14-17-16-12(21-14)9-15-23(18,19)13-6-3-7-22-13/h2-8,15H,9H2,1H3
InChIKeyGIPOEOPWLDOBGT-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.29
Rot. Bonds6

About N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide

N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide (PubChem CID 110320059) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide
PubChem CID110320059
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC NameN-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide
SMILESCOc1cccc(-c2nnc(CNS(=O)(=O)c3cccs3)o2)c1
InChIInChI=1S/C14H13N3O4S2/c1-20-11-5-2-4-10(8-11)14-17-16-12(21-14)9-15-23(18,19)13-6-3-7-22-13/h2-8,15H,9H2,1H3
InChIKeyGIPOEOPWLDOBGT-UHFFFAOYSA-N
XLogP2.29
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62139034
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322358
4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322399
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62136683
2-(3-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide
CID 110606841
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321801
2,6-dimethoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110320005
4-tert-butyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652825
methyl N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321860
2-methoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652841
2-(3-chloropropyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 39356122
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
CID 110321684

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide (CID 110320059) is N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide is COc1cccc(-c2nnc(CNS(=O)(=O)c3cccs3)o2)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is GIPOEOPWLDOBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c1-20-11-5-2-4-10(8-11)14-17-16-12(21-14)9-15-23(18,19)13-6-3-7-22-13/h2-8,15H,9H2,1H3.
What are the key properties of N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide?
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 351.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110320059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).