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

C18H14N4O3S2 — CID 27375147

IUPACN-methyl-N-phenyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccsc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C18H14N4O3S2/c1-22(14-5-3-2-4-6-14)27(23,24)15-9-12-26-16(15)18-20-17(21-25-18)13-7-10-19-11-8-13/h2-12H,1H3
InChIKeyODVXDSCOYJIQNO-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.69
Rot. Bonds5

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

N-methyl-N-phenyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide (PubChem CID 27375147) has the molecular formula C18H14N4O3S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
PubChem CID27375147
Molecular FormulaC18H14N4O3S2
Molecular Weight398.47 g/mol
Exact Mass398.05
IUPAC NameN-methyl-N-phenyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccsc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C18H14N4O3S2/c1-22(14-5-3-2-4-6-14)27(23,24)15-9-12-26-16(15)18-20-17(21-25-18)13-7-10-19-11-8-13/h2-12H,1H3
InChIKeyODVXDSCOYJIQNO-UHFFFAOYSA-N
XLogP3.69
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-methyl-N-phenyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide (CID 27375147) is N-methyl-N-phenyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-methyl-N-phenyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-methyl-N-phenyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccsc1-c1nc(-c2ccncc2)no1.
What is the InChIKey of N-methyl-N-phenyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is ODVXDSCOYJIQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S2/c1-22(14-5-3-2-4-6-14)27(23,24)15-9-12-26-16(15)18-20-17(21-25-18)13-7-10-19-11-8-13/h2-12H,1H3.
What are the key properties of N-methyl-N-phenyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
N-methyl-N-phenyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 398.47 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 27375147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).