N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide

C26H25N7O5 — CID 1440110

IUPACN-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2nnn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1
InChIInChI=1S/C26H25N7O5/c1-37-21-6-3-2-5-20(21)25(35)27-19-10-8-18(9-11-19)24-28-30-33(29-24)17-23(34)31-12-14-32(15-13-31)26(36)22-7-4-16-38-22/h2-11,16H,12-15,17H2,1H3,(H,27,35)
InChIKeyAYLBICMRYTUFQE-UHFFFAOYSA-N
MW515.53 g/mol
LogP2.18
Rot. Bonds7

About N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide

N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide (PubChem CID 1440110) has the molecular formula C26H25N7O5 and a molecular weight of 515.53 g/mol. Its IUPAC name is N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide
PubChem CID1440110
Molecular FormulaC26H25N7O5
Molecular Weight515.53 g/mol
Exact Mass515.19
IUPAC NameN-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2nnn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1
InChIInChI=1S/C26H25N7O5/c1-37-21-6-3-2-5-20(21)25(35)27-19-10-8-18(9-11-19)24-28-30-33(29-24)17-23(34)31-12-14-32(15-13-31)26(36)22-7-4-16-38-22/h2-11,16H,12-15,17H2,1H3,(H,27,35)
InChIKeyAYLBICMRYTUFQE-UHFFFAOYSA-N
XLogP2.18
TPSA135.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.53
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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
N-[2-(2-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-4-methoxy-benzamide
CID 644789
Furan-2-carboxylic acid [2-(2-phenylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 648033
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-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
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamide
CID 653728
Furan-2-carboxylic acid (2-{2-[(2-methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 654743
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1153917
2-methoxy-N-[4-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
CID 1440048

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide (CID 1440110) is N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(-c2nnn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1.
What is the InChIKey of N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide?
The InChIKey is AYLBICMRYTUFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O5/c1-37-21-6-3-2-5-20(21)25(35)27-19-10-8-18(9-11-19)24-28-30-33(29-24)17-23(34)31-12-14-32(15-13-31)26(36)22-7-4-16-38-22/h2-11,16H,12-15,17H2,1H3,(H,27,35).
What are the key properties of N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide?
N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide has a molecular weight of 515.53 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 1440110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).