N-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide

C22H20N6O5 — CID 71791204

IUPACN-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-n2nnn(CC(=O)NCc3ccco3)c2=O)cc1
InChIInChI=1S/C22H20N6O5/c1-32-19-7-3-2-6-18(19)21(30)24-15-8-10-16(11-9-15)28-22(31)27(25-26-28)14-20(29)23-13-17-5-4-12-33-17/h2-12H,13-14H2,1H3,(H,23,29)(H,24,30)
InChIKeyNFWIJQGMNVXMAY-UHFFFAOYSA-N
MW448.44 g/mol
LogP1.60
Rot. Bonds8

About N-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide

N-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide (PubChem CID 71791204) has the molecular formula C22H20N6O5 and a molecular weight of 448.44 g/mol. Its IUPAC name is N-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide
PubChem CID71791204
Molecular FormulaC22H20N6O5
Molecular Weight448.44 g/mol
Exact Mass448.15
IUPAC NameN-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-n2nnn(CC(=O)NCc3ccco3)c2=O)cc1
InChIInChI=1S/C22H20N6O5/c1-32-19-7-3-2-6-18(19)21(30)24-15-8-10-16(11-9-15)28-22(31)27(25-26-28)14-20(29)23-13-17-5-4-12-33-17/h2-12H,13-14H2,1H3,(H,23,29)(H,24,30)
InChIKeyNFWIJQGMNVXMAY-UHFFFAOYSA-N
XLogP1.60
TPSA133.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]thiophene-2-carboxamide
CID 71791209
N-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide
CID 9453044
3-methoxy-1-methyl-N-[4-[4-[2-(methylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]pyrazole-4-carboxamide
CID 71791142
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide
CID 34239119
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 28638324
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 55527410
N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
CID 46350170
2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 11957189
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide
CID 110352322
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide
CID 110732808
furan-2-ylmethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
CID 507320
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-methoxybenzamide
CID 17200115

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide (CID 71791204) is N-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(-n2nnn(CC(=O)NCc3ccco3)c2=O)cc1.
What is the InChIKey of N-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide?
The InChIKey is NFWIJQGMNVXMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O5/c1-32-19-7-3-2-6-18(19)21(30)24-15-8-10-16(11-9-15)28-22(31)27(25-26-28)14-20(29)23-13-17-5-4-12-33-17/h2-12H,13-14H2,1H3,(H,23,29)(H,24,30).
What are the key properties of N-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide?
N-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide has a molecular weight of 448.44 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 71791204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).