N-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide

C22H20N6O3 — CID 86874612

IUPACN-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide
SMILESO=C(CCCn1nnc(-c2ccccc2)n1)Nc1cccc(NC(=O)c2ccoc2)c1
InChIInChI=1S/C22H20N6O3/c29-20(10-5-12-28-26-21(25-27-28)16-6-2-1-3-7-16)23-18-8-4-9-19(14-18)24-22(30)17-11-13-31-15-17/h1-4,6-9,11,13-15H,5,10,12H2,(H,23,29)(H,24,30)
InChIKeyWIAHVYLAASHGOD-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.60
Rot. Bonds8

About N-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide

N-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide (PubChem CID 86874612) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide
PubChem CID86874612
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC NameN-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide
SMILESO=C(CCCn1nnc(-c2ccccc2)n1)Nc1cccc(NC(=O)c2ccoc2)c1
InChIInChI=1S/C22H20N6O3/c29-20(10-5-12-28-26-21(25-27-28)16-6-2-1-3-7-16)23-18-8-4-9-19(14-18)24-22(30)17-11-13-31-15-17/h1-4,6-9,11,13-15H,5,10,12H2,(H,23,29)(H,24,30)
InChIKeyWIAHVYLAASHGOD-UHFFFAOYSA-N
XLogP3.60
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide
CID 86874567
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
4-bromo-N'-[4-(5-phenyltetrazol-2-yl)butanoyl]benzohydrazide
CID 86874442
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 86874537
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904
N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]furan-3-carboxamide
CID 50841969
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide
CID 111484159
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 95295934
N-[3-(diethylamino)phenyl]furan-3-carboxamide
CID 124926206
2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide
CID 177376612

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide?
The IUPAC name of N-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide (CID 86874612) is N-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide is O=C(CCCn1nnc(-c2ccccc2)n1)Nc1cccc(NC(=O)c2ccoc2)c1.
What is the InChIKey of N-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide?
The InChIKey is WIAHVYLAASHGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c29-20(10-5-12-28-26-21(25-27-28)16-6-2-1-3-7-16)23-18-8-4-9-19(14-18)24-22(30)17-11-13-31-15-17/h1-4,6-9,11,13-15H,5,10,12H2,(H,23,29)(H,24,30).
What are the key properties of N-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide?
N-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide is sourced from PubChem (CID 86874612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).