2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide

C16H17N5OS — CID 86908769

IUPAC2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(C(=O)NCCc1cccs1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H17N5OS/c1-12(16(22)17-10-9-14-8-5-11-23-14)21-19-15(18-20-21)13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,17,22)
InChIKeySLLVTTAYAUGMHF-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.32
Rot. Bonds6

About 2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide

2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 86908769) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID86908769
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(C(=O)NCCc1cccs1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H17N5OS/c1-12(16(22)17-10-9-14-8-5-11-23-14)21-19-15(18-20-21)13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,17,22)
InChIKeySLLVTTAYAUGMHF-UHFFFAOYSA-N
XLogP2.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119644028
2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 20877636
N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119588881
(2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9037388
2-benzyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119233917
(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9043467
N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 119505106
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638
2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858737

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide (CID 86908769) is 2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide is CC(C(=O)NCCc1cccs1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is SLLVTTAYAUGMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-12(16(22)17-10-9-14-8-5-11-23-14)21-19-15(18-20-21)13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,17,22).
What are the key properties of 2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide?
2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 327.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 86908769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).