N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide

C11H13N5O2S — CID 75387931

IUPACN-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide
SMILESCC(CC(=O)c1cccs1)NC(=O)Cn1cnnn1
InChIInChI=1S/C11H13N5O2S/c1-8(5-9(17)10-3-2-4-19-10)13-11(18)6-16-7-12-14-15-16/h2-4,7-8H,5-6H2,1H3,(H,13,18)
InChIKeyMDIQDXFFUUCVCO-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.51
Rot. Bonds6

About N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide

N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide (PubChem CID 75387931) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide
PubChem CID75387931
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC NameN-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide
SMILESCC(CC(=O)c1cccs1)NC(=O)Cn1cnnn1
InChIInChI=1S/C11H13N5O2S/c1-8(5-9(17)10-3-2-4-19-10)13-11(18)6-16-7-12-14-15-16/h2-4,7-8H,5-6H2,1H3,(H,13,18)
InChIKeyMDIQDXFFUUCVCO-UHFFFAOYSA-N
XLogP0.51
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 134042808
(2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide
CID 97240926
1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
CID 84589932
3-methyl-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]but-2-enamide
CID 97240896
N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 146124066
3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
CID 24711091
2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 119218600
ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 94660700
5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide
CID 97330247
N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 75387926
methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 56817529
3-methyl-1-thiophen-2-ylpentan-1-one
CID 62621870

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide (CID 75387931) is N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide is CC(CC(=O)c1cccs1)NC(=O)Cn1cnnn1.
What is the InChIKey of N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is MDIQDXFFUUCVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-8(5-9(17)10-3-2-4-19-10)13-11(18)6-16-7-12-14-15-16/h2-4,7-8H,5-6H2,1H3,(H,13,18).
What are the key properties of N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide?
N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 279.32 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 75387931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).