N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide

C17H19N5O2S — CID 24572333

IUPACN-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1cccs1
InChIInChI=1S/C17H19N5O2S/c1-12(2)16(14-9-6-10-25-14)18-15(23)11-21-17(24)22(20-19-21)13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3,(H,18,23)
InChIKeyUHVQOXSGLUPTTB-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.00
Rot. Bonds6

About N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide

N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide (PubChem CID 24572333) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
PubChem CID24572333
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1cccs1
InChIInChI=1S/C17H19N5O2S/c1-12(2)16(14-9-6-10-25-14)18-15(23)11-21-17(24)22(20-19-21)13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3,(H,18,23)
InChIKeyUHVQOXSGLUPTTB-UHFFFAOYSA-N
XLogP2.00
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 17408499
(2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide
CID 9379983
2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051678
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 7447508
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 18128369
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 17437467
N-[(2R)-1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]thiophene-2-carboxamide
CID 95791899
3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 46960745
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 106672150
methyl 4-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]butanoate
CID 24519768
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 36799965

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide?
The IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide (CID 24572333) is N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide?
The canonical SMILES for N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide is CC(C)C(NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1cccs1.
What is the InChIKey of N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide?
The InChIKey is UHVQOXSGLUPTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-12(2)16(14-9-6-10-25-14)18-15(23)11-21-17(24)22(20-19-21)13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3,(H,18,23).
What are the key properties of N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide?
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide is sourced from PubChem (CID 24572333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).