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

C18H14N4O3S2 — CID 90563140

IUPACN-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1cccs1
InChIInChI=1S/C18H14N4O3S2/c23-27(24,17-6-3-11-26-17)22-15-5-2-1-4-14(15)12-16-20-18(21-25-16)13-7-9-19-10-8-13/h1-11,22H,12H2
InChIKeyRSGGUBLTMFLYIH-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.58
Rot. Bonds6

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

N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide (PubChem CID 90563140) has the molecular formula C18H14N4O3S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide
PubChem CID90563140
Molecular FormulaC18H14N4O3S2
Molecular Weight398.47 g/mol
Exact Mass398.05
IUPAC NameN-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1cccs1
InChIInChI=1S/C18H14N4O3S2/c23-27(24,17-6-3-11-26-17)22-15-5-2-1-4-14(15)12-16-20-18(21-25-16)13-7-9-19-10-8-13/h1-11,22H,12H2
InChIKeyRSGGUBLTMFLYIH-UHFFFAOYSA-N
XLogP3.58
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,6-trimethyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563136
3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563166
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide
CID 30885633
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562852
N-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide
CID 90563219
4-methyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562701
2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 90562819
3-methoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563945
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562990
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90563966
3-fluoro-4-methoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563985
5-chloro-2-methyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563949

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide (CID 90563140) is N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1cccs1.
What is the InChIKey of N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is RSGGUBLTMFLYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S2/c23-27(24,17-6-3-11-26-17)22-15-5-2-1-4-14(15)12-16-20-18(21-25-16)13-7-9-19-10-8-13/h1-11,22H,12H2.
What are the key properties of N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide?
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 398.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 90563140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).