N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide

C24H25N5O7 — CID 21047825

IUPACN-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(OC)c(Cc2ccc(C(=O)Nc3cc(OC)c(OC)cc3-c3nn[nH]n3)o2)c(OC)c1
InChIInChI=1S/C24H25N5O7/c1-31-14-9-19(32-2)16(20(10-14)33-3)8-13-6-7-18(36-13)24(30)25-17-12-22(35-5)21(34-4)11-15(17)23-26-28-29-27-23/h6-7,9-12H,8H2,1-5H3,(H,25,30)(H,26,27,28,29)
InChIKeyVXLZYIXECZIWDJ-UHFFFAOYSA-N
MW495.49 g/mol
LogP3.35
Rot. Bonds10

About N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide

N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 21047825) has the molecular formula C24H25N5O7 and a molecular weight of 495.49 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID21047825
Molecular FormulaC24H25N5O7
Molecular Weight495.49 g/mol
Exact Mass495.18
IUPAC NameN-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(OC)c(Cc2ccc(C(=O)Nc3cc(OC)c(OC)cc3-c3nn[nH]n3)o2)c(OC)c1
InChIInChI=1S/C24H25N5O7/c1-31-14-9-19(32-2)16(20(10-14)33-3)8-13-6-7-18(36-13)24(30)25-17-12-22(35-5)21(34-4)11-15(17)23-26-28-29-27-23/h6-7,9-12H,8H2,1-5H3,(H,25,30)(H,26,27,28,29)
InChIKeyVXLZYIXECZIWDJ-UHFFFAOYSA-N
XLogP3.35
TPSA142.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-(2,4,6-trimethoxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047128
methyl 3-methyl-4-[[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]amino]benzoate
CID 21046621
N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047850
N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048103
N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047451
N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048254
N-(4-methyl-1,3-thiazol-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048045
N-(5-chloro-1,3-thiazol-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048114
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047230
N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21046836
N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047245
N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047778

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide (CID 21047825) is N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide is COc1cc(OC)c(Cc2ccc(C(=O)Nc3cc(OC)c(OC)cc3-c3nn[nH]n3)o2)c(OC)c1.
What is the InChIKey of N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is VXLZYIXECZIWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O7/c1-31-14-9-19(32-2)16(20(10-14)33-3)8-13-6-7-18(36-13)24(30)25-17-12-22(35-5)21(34-4)11-15(17)23-26-28-29-27-23/h6-7,9-12H,8H2,1-5H3,(H,25,30)(H,26,27,28,29).
What are the key properties of N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 495.49 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).