N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide

C14H12ClN5OS — CID 16799256

IUPACN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN5OS/c15-10-3-5-11(6-4-10)20-13(17-18-19-20)9-16-14(21)8-12-2-1-7-22-12/h1-7H,8-9H2,(H,16,21)
InChIKeyHDWHQDRTENKBEB-UHFFFAOYSA-N
MW333.80 g/mol
LogP2.24
Rot. Bonds5

About N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide

N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 16799256) has the molecular formula C14H12ClN5OS and a molecular weight of 333.80 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID16799256
Molecular FormulaC14H12ClN5OS
Molecular Weight333.80 g/mol
Exact Mass333.05
IUPAC NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN5OS/c15-10-3-5-11(6-4-10)20-13(17-18-19-20)9-16-14(21)8-12-2-1-7-22-12/h1-7H,8-9H2,(H,16,21)
InChIKeyHDWHQDRTENKBEB-UHFFFAOYSA-N
XLogP2.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide (CID 16799256) is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is HDWHQDRTENKBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5OS/c15-10-3-5-11(6-4-10)20-13(17-18-19-20)9-16-14(21)8-12-2-1-7-22-12/h1-7H,8-9H2,(H,16,21).
What are the key properties of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 333.80 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 16799256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).