2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide

C32H29N5O3 — CID 10143235

IUPAC2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)NCc1ccc2c(-c3ccccc3)c(OCc3nn[nH]n3)ccc2c1
InChIInChI=1S/C32H29N5O3/c1-2-3-12-28-31(25-11-7-8-13-26(25)40-28)32(38)33-19-21-14-16-24-23(18-21)15-17-27(39-20-29-34-36-37-35-29)30(24)22-9-5-4-6-10-22/h4-11,13-18H,2-3,12,19-20H2,1H3,(H,33,38)(H,34,35,36,37)
InChIKeyIGPKSFHQJAVAJC-UHFFFAOYSA-N
MW531.62 g/mol
LogP6.62
Rot. Bonds10

About 2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide

2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide (PubChem CID 10143235) has the molecular formula C32H29N5O3 and a molecular weight of 531.62 g/mol. Its IUPAC name is 2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide
PubChem CID10143235
Molecular FormulaC32H29N5O3
Molecular Weight531.62 g/mol
Exact Mass531.23
IUPAC Name2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)NCc1ccc2c(-c3ccccc3)c(OCc3nn[nH]n3)ccc2c1
InChIInChI=1S/C32H29N5O3/c1-2-3-12-28-31(25-11-7-8-13-26(25)40-28)32(38)33-19-21-14-16-24-23(18-21)15-17-27(39-20-29-34-36-37-35-29)30(24)22-9-5-4-6-10-22/h4-11,13-18H,2-3,12,19-20H2,1H3,(H,33,38)(H,34,35,36,37)
InChIKeyIGPKSFHQJAVAJC-UHFFFAOYSA-N
XLogP6.62
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.62
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

N-[5-bromo-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-2-butyl-1-benzofuran-3-carboxamide
CID 10229771
2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide
CID 10160512
N-[(5-bromo-6-hydroxynaphthalen-2-yl)methyl]-2-butyl-1-benzofuran-3-carboxamide
CID 86587378
(2-butyl-1-benzofuran-3-yl) N-[[5-bromo-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-N-butylcarbamate
CID 69138611
5-[5-bromo-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-2-(2-butyl-1-benzofuran-3-yl)-1,3-oxazole
CID 11599173
5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole
CID 141062599
(2-butyl-1-benzofuran-3-yl) N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]carbamate
CID 69137606
2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide
CID 167935809
2-butyl-N-methyl-1-benzofuran-3-carboxamide
CID 141114520
N-[(5-bromo-6-hydroxynaphthalen-2-yl)methyl]-2-butyl-N-methyl-1-benzofuran-3-carboxamide
CID 86587384
2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide
CID 167967580
methyl 2-[4-[4-[(2-butyl-1-benzofuran-3-carbonyl)amino]phenyl]phenoxy]acetate
CID 131727450

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide (CID 10143235) is 2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide is CCCCc1oc2ccccc2c1C(=O)NCc1ccc2c(-c3ccccc3)c(OCc3nn[nH]n3)ccc2c1.
What is the InChIKey of 2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide?
The InChIKey is IGPKSFHQJAVAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O3/c1-2-3-12-28-31(25-11-7-8-13-26(25)40-28)32(38)33-19-21-14-16-24-23(18-21)15-17-27(39-20-29-34-36-37-35-29)30(24)22-9-5-4-6-10-22/h4-11,13-18H,2-3,12,19-20H2,1H3,(H,33,38)(H,34,35,36,37).
What are the key properties of 2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide?
2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide has a molecular weight of 531.62 g/mol, XLogP of 6.62, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 10143235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).