7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[3,2-b]pyridine-2-carboxamide

C23H19N7O4S — CID 86290370

IUPAC7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[3,2-b]pyridine-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(C(=O)NCCc4nn[nH]n4)sc23)c1
InChIInChI=1S/C23H19N7O4S/c1-13-7-10-33-20(13)23(32)26-14-3-2-4-15(11-14)34-17-5-8-24-16-12-18(35-21(16)17)22(31)25-9-6-19-27-29-30-28-19/h2-5,7-8,10-12H,6,9H2,1H3,(H,25,31)(H,26,32)(H,27,28,29,30)
InChIKeyIIFPJFFGBGQYTR-UHFFFAOYSA-N
MW489.52 g/mol
LogP3.73
Rot. Bonds8

About 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[3,2-b]pyridine-2-carboxamide

7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 86290370) has the molecular formula C23H19N7O4S and a molecular weight of 489.52 g/mol. Its IUPAC name is 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[3,2-b]pyridine-2-carboxamide
PubChem CID86290370
Molecular FormulaC23H19N7O4S
Molecular Weight489.52 g/mol
Exact Mass489.12
IUPAC Name7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[3,2-b]pyridine-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(C(=O)NCCc4nn[nH]n4)sc23)c1
InChIInChI=1S/C23H19N7O4S/c1-13-7-10-33-20(13)23(32)26-14-3-2-4-15(11-14)34-17-5-8-24-16-12-18(35-21(16)17)22(31)25-9-6-19-27-29-30-28-19/h2-5,7-8,10-12H,6,9H2,1H3,(H,25,31)(H,26,32)(H,27,28,29,30)
InChIKeyIIFPJFFGBGQYTR-UHFFFAOYSA-N
XLogP3.73
TPSA147.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.52
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[3,2-b]pyridine-2-carboxamide (CID 86290370) is 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[3,2-b]pyridine-2-carboxamide is Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(C(=O)NCCc4nn[nH]n4)sc23)c1.
What is the InChIKey of 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is IIFPJFFGBGQYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O4S/c1-13-7-10-33-20(13)23(32)26-14-3-2-4-15(11-14)34-17-5-8-24-16-12-18(35-21(16)17)22(31)25-9-6-19-27-29-30-28-19/h2-5,7-8,10-12H,6,9H2,1H3,(H,25,31)(H,26,32)(H,27,28,29,30).
What are the key properties of 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[3,2-b]pyridine-2-carboxamide?
7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 489.52 g/mol, XLogP of 3.73, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 86290370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).