furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-(thiophen-2-ylmethyl)azanium

C22H26N5O2S+ — CID 7140985

IUPACfuran-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-(thiophen-2-ylmethyl)azanium
SMILESCOCCn1nnnc1[C@H](c1ccc(C)cc1)[NH+](Cc1ccco1)Cc1cccs1
InChIInChI=1S/C22H25N5O2S/c1-17-7-9-18(10-8-17)21(22-23-24-25-27(22)11-13-28-2)26(15-19-5-3-12-29-19)16-20-6-4-14-30-20/h3-10,12,14,21H,11,13,15-16H2,1-2H3/p+1/t21-/m0/s1
InChIKeyPWLSUVYZUIRFFX-NRFANRHFSA-O
MW424.55 g/mol
LogP2.66
Rot. Bonds10

About furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-(thiophen-2-ylmethyl)azanium

furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 7140985) has the molecular formula C22H26N5O2S+ and a molecular weight of 424.55 g/mol. Its IUPAC name is furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-(thiophen-2-ylmethyl)azanium
PubChem CID7140985
Molecular FormulaC22H26N5O2S+
Molecular Weight424.55 g/mol
Exact Mass424.18
IUPAC Namefuran-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-(thiophen-2-ylmethyl)azanium
SMILESCOCCn1nnnc1[C@H](c1ccc(C)cc1)[NH+](Cc1ccco1)Cc1cccs1
InChIInChI=1S/C22H25N5O2S/c1-17-7-9-18(10-8-17)21(22-23-24-25-27(22)11-13-28-2)26(15-19-5-3-12-29-19)16-20-6-4-14-30-20/h3-10,12,14,21H,11,13,15-16H2,1-2H3/p+1/t21-/m0/s1
InChIKeyPWLSUVYZUIRFFX-NRFANRHFSA-O
XLogP2.66
TPSA70.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-(thiophen-2-ylmethyl)azanium?
The IUPAC name of furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-(thiophen-2-ylmethyl)azanium (CID 7140985) is furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-(thiophen-2-ylmethyl)azanium is COCCn1nnnc1[C@H](c1ccc(C)cc1)[NH+](Cc1ccco1)Cc1cccs1.
What is the InChIKey of furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-(thiophen-2-ylmethyl)azanium?
The InChIKey is PWLSUVYZUIRFFX-NRFANRHFSA-O. The full InChI is InChI=1S/C22H25N5O2S/c1-17-7-9-18(10-8-17)21(22-23-24-25-27(22)11-13-28-2)26(15-19-5-3-12-29-19)16-20-6-4-14-30-20/h3-10,12,14,21H,11,13,15-16H2,1-2H3/p+1/t21-/m0/s1.
What are the key properties of furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-(thiophen-2-ylmethyl)azanium?
furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 424.55 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 7140985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).