(2R)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-(2-thiophen-3-ylethyl)propanamide

C23H23N5O3S2 — CID 155554455

IUPAC(2R)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-(2-thiophen-3-ylethyl)propanamide
SMILESNS(=O)(=O)c1ccc(-c2cn([C@H](Cc3ccccc3)C(=O)NCCc3ccsc3)nn2)cc1
InChIInChI=1S/C23H23N5O3S2/c24-33(30,31)20-8-6-19(7-9-20)21-15-28(27-26-21)22(14-17-4-2-1-3-5-17)23(29)25-12-10-18-11-13-32-16-18/h1-9,11,13,15-16,22H,10,12,14H2,(H,25,29)(H2,24,30,31)/t22-/m1/s1
InChIKeyCEIQMBXHBBOYON-JOCHJYFZSA-N
MW481.60 g/mol
LogP2.80
Rot. Bonds9

About (2R)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-(2-thiophen-3-ylethyl)propanamide

(2R)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-(2-thiophen-3-ylethyl)propanamide (PubChem CID 155554455) has the molecular formula C23H23N5O3S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-(2-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-(2-thiophen-3-ylethyl)propanamide
PubChem CID155554455
Molecular FormulaC23H23N5O3S2
Molecular Weight481.60 g/mol
Exact Mass481.12
IUPAC Name(2R)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-(2-thiophen-3-ylethyl)propanamide
SMILESNS(=O)(=O)c1ccc(-c2cn([C@H](Cc3ccccc3)C(=O)NCCc3ccsc3)nn2)cc1
InChIInChI=1S/C23H23N5O3S2/c24-33(30,31)20-8-6-19(7-9-20)21-15-28(27-26-21)22(14-17-4-2-1-3-5-17)23(29)25-12-10-18-11-13-32-16-18/h1-9,11,13,15-16,22H,10,12,14H2,(H,25,29)(H2,24,30,31)/t22-/m1/s1
InChIKeyCEIQMBXHBBOYON-JOCHJYFZSA-N
XLogP2.80
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-(2-thiophen-3-ylethyl)propanamide?
The IUPAC name of (2R)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-(2-thiophen-3-ylethyl)propanamide (CID 155554455) is (2R)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-(2-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for (2R)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-(2-thiophen-3-ylethyl)propanamide?
The canonical SMILES for (2R)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-(2-thiophen-3-ylethyl)propanamide is NS(=O)(=O)c1ccc(-c2cn([C@H](Cc3ccccc3)C(=O)NCCc3ccsc3)nn2)cc1.
What is the InChIKey of (2R)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-(2-thiophen-3-ylethyl)propanamide?
The InChIKey is CEIQMBXHBBOYON-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23N5O3S2/c24-33(30,31)20-8-6-19(7-9-20)21-15-28(27-26-21)22(14-17-4-2-1-3-5-17)23(29)25-12-10-18-11-13-32-16-18/h1-9,11,13,15-16,22H,10,12,14H2,(H,25,29)(H2,24,30,31)/t22-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-(2-thiophen-3-ylethyl)propanamide?
(2R)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-(2-thiophen-3-ylethyl)propanamide has a molecular weight of 481.60 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-(2-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 155554455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).