N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide

C19H16N4O4S2 — CID 67819575

IUPACN-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc(-c3cnco3)s2)nc(-c2ccccn2)c1
InChIInChI=1S/C19H16N4O4S2/c1-26-14-8-13(23-16(9-14)15-4-2-3-7-21-15)10-22-29(24,25)19-6-5-18(28-19)17-11-20-12-27-17/h2-9,11-12,22H,10H2,1H3
InChIKeyCBADUYGUGVJMGH-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.35
Rot. Bonds7

About N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide

N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 67819575) has the molecular formula C19H16N4O4S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID67819575
Molecular FormulaC19H16N4O4S2
Molecular Weight428.50 g/mol
Exact Mass428.06
IUPAC NameN-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc(-c3cnco3)s2)nc(-c2ccccn2)c1
InChIInChI=1S/C19H16N4O4S2/c1-26-14-8-13(23-16(9-14)15-4-2-3-7-21-15)10-22-29(24,25)19-6-5-18(28-19)17-11-20-12-27-17/h2-9,11-12,22H,10H2,1H3
InChIKeyCBADUYGUGVJMGH-UHFFFAOYSA-N
XLogP3.35
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide (CID 67819575) is N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide is COc1cc(CNS(=O)(=O)c2ccc(-c3cnco3)s2)nc(-c2ccccn2)c1.
What is the InChIKey of N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is CBADUYGUGVJMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S2/c1-26-14-8-13(23-16(9-14)15-4-2-3-7-21-15)10-22-29(24,25)19-6-5-18(28-19)17-11-20-12-27-17/h2-9,11-12,22H,10H2,1H3.
What are the key properties of N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide?
N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 428.50 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 67819575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).