N-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide

C19H15N5OS — CID 174420551

IUPACN-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide
SMILESCN(C(=O)c1ccccc1)c1ccccc1-c1ccsc1-c1nn[nH]n1
InChIInChI=1S/C19H15N5OS/c1-24(19(25)13-7-3-2-4-8-13)16-10-6-5-9-14(16)15-11-12-26-17(15)18-20-22-23-21-18/h2-12H,1H3,(H,20,21,22,23)
InChIKeyCJOCUDFADVXBTF-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.87
Rot. Bonds4

About N-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide

N-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide (PubChem CID 174420551) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide
PubChem CID174420551
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC NameN-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide
SMILESCN(C(=O)c1ccccc1)c1ccccc1-c1ccsc1-c1nn[nH]n1
InChIInChI=1S/C19H15N5OS/c1-24(19(25)13-7-3-2-4-8-13)16-10-6-5-9-14(16)15-11-12-26-17(15)18-20-22-23-21-18/h2-12H,1H3,(H,20,21,22,23)
InChIKeyCJOCUDFADVXBTF-UHFFFAOYSA-N
XLogP3.87
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide?
The IUPAC name of N-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide (CID 174420551) is N-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide.
What is the SMILES notation for N-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide?
The canonical SMILES for N-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide is CN(C(=O)c1ccccc1)c1ccccc1-c1ccsc1-c1nn[nH]n1.
What is the InChIKey of N-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide?
The InChIKey is CJOCUDFADVXBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-24(19(25)13-7-3-2-4-8-13)16-10-6-5-9-14(16)15-11-12-26-17(15)18-20-22-23-21-18/h2-12H,1H3,(H,20,21,22,23).
What are the key properties of N-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide?
N-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide has a molecular weight of 361.43 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide is sourced from PubChem (CID 174420551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).