4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide

C15H15N5OS — CID 171132793

IUPAC4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide
SMILESO=C(NCCCc1cccs1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H15N5OS/c21-15(16-9-1-3-14-4-2-10-22-14)12-5-7-13(8-6-12)20-11-17-18-19-20/h2,4-8,10-11H,1,3,9H2,(H,16,21)
InChIKeyOJGSUKIULIEWGG-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.09
Rot. Bonds6

About 4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide

4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide (PubChem CID 171132793) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide
PubChem CID171132793
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide
SMILESO=C(NCCCc1cccs1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H15N5OS/c21-15(16-9-1-3-14-4-2-10-22-14)12-5-7-13(8-6-12)20-11-17-18-19-20/h2,4-8,10-11H,1,3,9H2,(H,16,21)
InChIKeyOJGSUKIULIEWGG-UHFFFAOYSA-N
XLogP2.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 55600639
N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 43600862
5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 62033210
N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide
CID 51087437
N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 104593682
4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770345
N-(furan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 31834240
N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9450376
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 9396044
3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838484

Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide (CID 171132793) is 4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide is O=C(NCCCc1cccs1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide?
The InChIKey is OJGSUKIULIEWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c21-15(16-9-1-3-14-4-2-10-22-14)12-5-7-13(8-6-12)20-11-17-18-19-20/h2,4-8,10-11H,1,3,9H2,(H,16,21).
What are the key properties of 4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide?
4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide has a molecular weight of 313.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 171132793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).