N-phenyl-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide

C14H13N5OS — CID 3171060

IUPACN-phenyl-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(Nc1ccccc1)C(Cc1cccs1)c1nn[nH]n1
InChIInChI=1S/C14H13N5OS/c20-14(15-10-5-2-1-3-6-10)12(13-16-18-19-17-13)9-11-7-4-8-21-11/h1-8,12H,9H2,(H,15,20)(H,16,17,18,19)
InChIKeyJDTAONBRPDCJQF-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.23
Rot. Bonds5

About N-phenyl-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide

N-phenyl-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide (PubChem CID 3171060) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-phenyl-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-phenyl-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide
PubChem CID3171060
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-phenyl-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(Nc1ccccc1)C(Cc1cccs1)c1nn[nH]n1
InChIInChI=1S/C14H13N5OS/c20-14(15-10-5-2-1-3-6-10)12(13-16-18-19-17-13)9-11-7-4-8-21-11/h1-8,12H,9H2,(H,15,20)(H,16,17,18,19)
InChIKeyJDTAONBRPDCJQF-UHFFFAOYSA-N
XLogP2.23
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-phenyl-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide (CID 3171060) is N-phenyl-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-phenyl-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-phenyl-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide is O=C(Nc1ccccc1)C(Cc1cccs1)c1nn[nH]n1.
What is the InChIKey of N-phenyl-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is JDTAONBRPDCJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c20-14(15-10-5-2-1-3-6-10)12(13-16-18-19-17-13)9-11-7-4-8-21-11/h1-8,12H,9H2,(H,15,20)(H,16,17,18,19).
What are the key properties of N-phenyl-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide?
N-phenyl-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 299.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 3171060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).