N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide

C15H15N5OS — CID 122160147

IUPACN-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)Cc1cccs1)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H15N5OS/c1-11(16-14(21)10-13-8-5-9-22-13)15-17-18-19-20(15)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,16,21)
InChIKeyGYHNXRCRPTTXPU-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.14
Rot. Bonds5

About N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide

N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 122160147) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID122160147
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)Cc1cccs1)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H15N5OS/c1-11(16-14(21)10-13-8-5-9-22-13)15-17-18-19-20(15)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,16,21)
InChIKeyGYHNXRCRPTTXPU-UHFFFAOYSA-N
XLogP2.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide
CID 99160430
(3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide
CID 95628473
(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide
CID 119328864
N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 95234003
N-[1-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 47004762
N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 124841571
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
N-(1-aminoethyl)-2-thiophen-2-ylacetamide
CID 173143442
(2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide
CID 120793976
2-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716446
N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42999115
N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 47007711

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide (CID 122160147) is N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide is CC(NC(=O)Cc1cccs1)c1nnnn1-c1ccccc1.
What is the InChIKey of N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is GYHNXRCRPTTXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-11(16-14(21)10-13-8-5-9-22-13)15-17-18-19-20(15)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,16,21).
What are the key properties of N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 313.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 122160147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).