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

C19H15N3O4S2 — CID 46380535

IUPACN-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1-c1nc(-c2ccc(NS(=O)(=O)c3cccs3)cc2)no1
InChIInChI=1S/C19H15N3O4S2/c1-25-16-6-3-2-5-15(16)19-20-18(21-26-19)13-8-10-14(11-9-13)22-28(23,24)17-7-4-12-27-17/h2-12,22H,1H3
InChIKeyKTTIENSHMVQYPU-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.27
Rot. Bonds6

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

N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide (PubChem CID 46380535) has the molecular formula C19H15N3O4S2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
PubChem CID46380535
Molecular FormulaC19H15N3O4S2
Molecular Weight413.48 g/mol
Exact Mass413.05
IUPAC NameN-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1-c1nc(-c2ccc(NS(=O)(=O)c3cccs3)cc2)no1
InChIInChI=1S/C19H15N3O4S2/c1-25-16-6-3-2-5-15(16)19-20-18(21-26-19)13-8-10-14(11-9-13)22-28(23,24)17-7-4-12-27-17/h2-12,22H,1H3
InChIKeyKTTIENSHMVQYPU-UHFFFAOYSA-N
XLogP4.27
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 46380533
N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 46380546
N-[4-[3-(2-prop-2-ynoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide
CID 167784843
N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 46380545
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747339
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 4897163
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
3-(2-methoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527966
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869
N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide
CID 162620900
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823114
N-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 92895653

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide (CID 46380535) is N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide is COc1ccccc1-c1nc(-c2ccc(NS(=O)(=O)c3cccs3)cc2)no1.
What is the InChIKey of N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide?
The InChIKey is KTTIENSHMVQYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S2/c1-25-16-6-3-2-5-15(16)19-20-18(21-26-19)13-8-10-14(11-9-13)22-28(23,24)17-7-4-12-27-17/h2-12,22H,1H3.
What are the key properties of N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide?
N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide has a molecular weight of 413.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 46380535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).