N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)thiophene-2-carboxamide

C23H17N3O2S — CID 23589944

IUPACN-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)thiophene-2-carboxamide
SMILESCOc1c(NC(=O)c2cccs2)ccc2[nH]nc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C23H17N3O2S/c1-28-22-18(24-23(27)19-7-4-12-29-19)11-10-17-20(22)21(26-25-17)16-9-8-14-5-2-3-6-15(14)13-16/h2-13H,1H3,(H,24,27)(H,25,26)
InChIKeySZHONPOFKQKEAV-UHFFFAOYSA-N
MW399.48 g/mol
LogP5.71
Rot. Bonds4

About N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)thiophene-2-carboxamide

N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)thiophene-2-carboxamide (PubChem CID 23589944) has the molecular formula C23H17N3O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)thiophene-2-carboxamide
PubChem CID23589944
Molecular FormulaC23H17N3O2S
Molecular Weight399.48 g/mol
Exact Mass399.10
IUPAC NameN-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)thiophene-2-carboxamide
SMILESCOc1c(NC(=O)c2cccs2)ccc2[nH]nc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C23H17N3O2S/c1-28-22-18(24-23(27)19-7-4-12-29-19)11-10-17-20(22)21(26-25-17)16-9-8-14-5-2-3-6-15(14)13-16/h2-13H,1H3,(H,24,27)(H,25,26)
InChIKeySZHONPOFKQKEAV-UHFFFAOYSA-N
XLogP5.71
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.48
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)thiophene-2-carboxamide (CID 23589944) is N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)thiophene-2-carboxamide is COc1c(NC(=O)c2cccs2)ccc2[nH]nc(-c3ccc4ccccc4c3)c12.
What is the InChIKey of N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)thiophene-2-carboxamide?
The InChIKey is SZHONPOFKQKEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2S/c1-28-22-18(24-23(27)19-7-4-12-29-19)11-10-17-20(22)21(26-25-17)16-9-8-14-5-2-3-6-15(14)13-16/h2-13H,1H3,(H,24,27)(H,25,26).
What are the key properties of N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)thiophene-2-carboxamide?
N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)thiophene-2-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 23589944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).