N-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide

C27H19N5O2S — CID 55967239

IUPACN-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)c1ccccc1SCc1nnnn1-c1ccccc1
InChIInChI=1S/C27H19N5O2S/c33-27(28-18-14-15-21-20-10-4-6-12-23(20)34-24(21)16-18)22-11-5-7-13-25(22)35-17-26-29-30-31-32(26)19-8-2-1-3-9-19/h1-16H,17H2,(H,28,33)
InChIKeyMRGHSPGQECOVRP-UHFFFAOYSA-N
MW477.55 g/mol
LogP6.11
Rot. Bonds6

About N-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide

N-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (PubChem CID 55967239) has the molecular formula C27H19N5O2S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
PubChem CID55967239
Molecular FormulaC27H19N5O2S
Molecular Weight477.55 g/mol
Exact Mass477.13
IUPAC NameN-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)c1ccccc1SCc1nnnn1-c1ccccc1
InChIInChI=1S/C27H19N5O2S/c33-27(28-18-14-15-21-20-10-4-6-12-23(20)34-24(21)16-18)22-11-5-7-13-25(22)35-17-26-29-30-31-32(26)19-8-2-1-3-9-19/h1-16H,17H2,(H,28,33)
InChIKeyMRGHSPGQECOVRP-UHFFFAOYSA-N
XLogP6.11
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.55
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55523727
N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405761
N-(5-benzyl-1,3-thiazol-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 112795860
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55961384
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55678109
N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55406223
N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405666
N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 51217100
N-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55964665
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 39913535
N-[(1-methylbenzimidazol-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55494907
N-[(2R)-2-(ethylamino)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 120654010

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (CID 55967239) is N-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccccc1SCc1nnnn1-c1ccccc1.
What is the InChIKey of N-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is MRGHSPGQECOVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O2S/c33-27(28-18-14-15-21-20-10-4-6-12-23(20)34-24(21)16-18)22-11-5-7-13-25(22)35-17-26-29-30-31-32(26)19-8-2-1-3-9-19/h1-16H,17H2,(H,28,33).
What are the key properties of N-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
N-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 477.55 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55967239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).