N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

C17H19N5OS — CID 9128343

IUPACN-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESCCc1ccc([C@@H](C)NC(=O)Cn2nnc(-c3ccsc3)n2)cc1
InChIInChI=1S/C17H19N5OS/c1-3-13-4-6-14(7-5-13)12(2)18-16(23)10-22-20-17(19-21-22)15-8-9-24-11-15/h4-9,11-12H,3,10H2,1-2H3,(H,18,23)/t12-/m1/s1
InChIKeyQYADBMDGIZQMEE-GFCCVEGCSA-N
MW341.44 g/mol
LogP2.84
Rot. Bonds6

About N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (PubChem CID 9128343) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
PubChem CID9128343
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESCCc1ccc([C@@H](C)NC(=O)Cn2nnc(-c3ccsc3)n2)cc1
InChIInChI=1S/C17H19N5OS/c1-3-13-4-6-14(7-5-13)12(2)18-16(23)10-22-20-17(19-21-22)15-8-9-24-11-15/h4-9,11-12H,3,10H2,1-2H3,(H,18,23)/t12-/m1/s1
InChIKeyQYADBMDGIZQMEE-GFCCVEGCSA-N
XLogP2.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128298
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128319
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 8681591
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634209
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490280
N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115612942
3-methyl-4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 81065022
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
N-(4-ethylphenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490049
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
CID 63912512
methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate
CID 9128050

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (CID 9128343) is N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is CCc1ccc([C@@H](C)NC(=O)Cn2nnc(-c3ccsc3)n2)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The InChIKey is QYADBMDGIZQMEE-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-3-13-4-6-14(7-5-13)12(2)18-16(23)10-22-20-17(19-21-22)15-8-9-24-11-15/h4-9,11-12H,3,10H2,1-2H3,(H,18,23)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 9128343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).