N-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide

C22H16N4O3S — CID 59023823

IUPACN-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C22H16N4O3S/c27-20(12-23-22(28)17-5-3-7-29-17)25-15-8-14-11-24-26-21(14)16(10-15)19-9-13-4-1-2-6-18(13)30-19/h1-11H,12H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyVOFHOJJZMHEDBN-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.41
Rot. Bonds5

About N-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 59023823) has the molecular formula C22H16N4O3S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID59023823
Molecular FormulaC22H16N4O3S
Molecular Weight416.46 g/mol
Exact Mass416.09
IUPAC NameN-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C22H16N4O3S/c27-20(12-23-22(28)17-5-3-7-29-17)25-15-8-14-11-24-26-21(14)16(10-15)19-9-13-4-1-2-6-18(13)30-19/h1-11H,12H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyVOFHOJJZMHEDBN-UHFFFAOYSA-N
XLogP4.41
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide (CID 59023823) is N-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1.
What is the InChIKey of N-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is VOFHOJJZMHEDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3S/c27-20(12-23-22(28)17-5-3-7-29-17)25-15-8-14-11-24-26-21(14)16(10-15)19-9-13-4-1-2-6-18(13)30-19/h1-11H,12H2,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of N-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 59023823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).