3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide

C17H18N6O3S — CID 24669149

IUPAC3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)C(Cc2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C17H18N6O3S/c18-27(25,26)11-14-6-8-15(9-7-14)20-17(24)16(23-12-19-21-22-23)10-13-4-2-1-3-5-13/h1-9,12,16H,10-11H2,(H,20,24)(H2,18,25,26)
InChIKeyVRNXMVONOSIDAU-UHFFFAOYSA-N
MW386.44 g/mol
LogP0.88
Rot. Bonds7

About 3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide

3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide (PubChem CID 24669149) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide
PubChem CID24669149
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)C(Cc2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C17H18N6O3S/c18-27(25,26)11-14-6-8-15(9-7-14)20-17(24)16(23-12-19-21-22-23)10-13-4-2-1-3-5-13/h1-9,12,16H,10-11H2,(H,20,24)(H2,18,25,26)
InChIKeyVRNXMVONOSIDAU-UHFFFAOYSA-N
XLogP0.88
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide?
The IUPAC name of 3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide (CID 24669149) is 3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for 3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide is NS(=O)(=O)Cc1ccc(NC(=O)C(Cc2ccccc2)n2cnnn2)cc1.
What is the InChIKey of 3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide?
The InChIKey is VRNXMVONOSIDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c18-27(25,26)11-14-6-8-15(9-7-14)20-17(24)16(23-12-19-21-22-23)10-13-4-2-1-3-5-13/h1-9,12,16H,10-11H2,(H,20,24)(H2,18,25,26).
What are the key properties of 3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide?
3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide has a molecular weight of 386.44 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 24669149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).