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3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide

C18H15N5OS2 — CID 31838484

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(-n2cnnn2)c1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C18H15N5OS2/c24-18(14-4-1-5-15(10-14)23-13-19-20-21-23)22(11-16-6-2-8-25-16)12-17-7-3-9-26-17/h1-10,13H,11-12H2
InChIKeyYPDOUUHCXDSKBU-UHFFFAOYSA-N
MW381.49 g/mol
LogP3.63
Rot. Bonds6

About 3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide

3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide (PubChem CID 31838484) has the molecular formula C18H15N5OS2 and a molecular weight of 381.49 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide
PubChem CID31838484
Molecular FormulaC18H15N5OS2
Molecular Weight381.49 g/mol
Exact Mass381.07
IUPAC Name3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(-n2cnnn2)c1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C18H15N5OS2/c24-18(14-4-1-5-15(10-14)23-13-19-20-21-23)22(11-16-6-2-8-25-16)12-17-7-3-9-26-17/h1-10,13H,11-12H2
InChIKeyYPDOUUHCXDSKBU-UHFFFAOYSA-N
XLogP3.63
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide (CID 31838484) is 3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide is O=C(c1cccc(-n2cnnn2)c1)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide?
The InChIKey is YPDOUUHCXDSKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS2/c24-18(14-4-1-5-15(10-14)23-13-19-20-21-23)22(11-16-6-2-8-25-16)12-17-7-3-9-26-17/h1-10,13H,11-12H2.
What are the key properties of 3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide?
3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide has a molecular weight of 381.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 31838484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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