N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide

C22H20N6O4 — CID 644789

IUPACN-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C22H20N6O4/c1-31-16-10-8-15(9-11-16)22(30)24-19-7-3-2-6-18(19)21-25-27-28(26-21)14-20(29)23-13-17-5-4-12-32-17/h2-12H,13-14H2,1H3,(H,23,29)(H,24,30)
InChIKeyNAUKWDVSWAFCSE-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.51
Rot. Bonds8

About N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide

N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide (PubChem CID 644789) has the molecular formula C22H20N6O4 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide
PubChem CID644789
Molecular FormulaC22H20N6O4
Molecular Weight432.44 g/mol
Exact Mass432.15
IUPAC NameN-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C22H20N6O4/c1-31-16-10-8-15(9-11-16)22(30)24-19-7-3-2-6-18(19)21-25-27-28(26-21)14-20(29)23-13-17-5-4-12-32-17/h2-12H,13-14H2,1H3,(H,23,29)(H,24,30)
InChIKeyNAUKWDVSWAFCSE-UHFFFAOYSA-N
XLogP2.51
TPSA124.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Furan-2-carboxylic acid (2-{2-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 656033
2-[5-(4-Ethoxy-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide
CID 644706
2-[5-(4-butoxyphenyl)-2-tetrazolyl]-N-(2-furanylmethyl)acetamide
CID 644791
3-{2-[5-(4-Propoxy-phenyl)-tetrazol-2-yl]-acetylamino}-benzoic acid methyl ester
CID 645014
Furan-2-carboxylic acid [2-(2-phenylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 648033
N-(tert-Butylcarbamoyl-methyl)-N-(2-methoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 648211
2-Fluoro-N-[2-(2-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-benzamide
CID 648374
Furan-2-carboxylic acid [2-(2-cyclohexylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 649082
N-(Benzylcarbamoyl-methyl)-N-(2,3-dimethyl-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 649774
N-tert-Butyl-2-((2-fluoro-phenyl)-{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 649792
Furan-2-carboxylic acid (2-{2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 651026
N-tert-Butyl-2-((3-fluoro-phenyl)-{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 653521

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide (CID 644789) is N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)NCc3ccco3)n2)cc1.
What is the InChIKey of N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide?
The InChIKey is NAUKWDVSWAFCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4/c1-31-16-10-8-15(9-11-16)22(30)24-19-7-3-2-6-18(19)21-25-27-28(26-21)14-20(29)23-13-17-5-4-12-32-17/h2-12H,13-14H2,1H3,(H,23,29)(H,24,30).
What are the key properties of N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide?
N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide has a molecular weight of 432.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 644789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).