(2S)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide

C14H19N5O3S — CID 171346373

IUPAC(2S)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide
SMILESCC(C)C[C@@H](C(N)=O)n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1
InChIInChI=1S/C14H19N5O3S/c1-9(2)7-13(14(15)20)19-8-12(17-18-19)10-3-5-11(6-4-10)23(16,21)22/h3-6,8-9,13H,7H2,1-2H3,(H2,15,20)(H2,16,21,22)/t13-/m0/s1
InChIKeyRULYMXTUXOPDIG-ZDUSSCGKSA-N
MW337.41 g/mol
LogP0.67
Rot. Bonds6

About (2S)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide

(2S)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide (PubChem CID 171346373) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is (2S)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide
PubChem CID171346373
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name(2S)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide
SMILESCC(C)C[C@@H](C(N)=O)n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1
InChIInChI=1S/C14H19N5O3S/c1-9(2)7-13(14(15)20)19-8-12(17-18-19)10-3-5-11(6-4-10)23(16,21)22/h3-6,8-9,13H,7H2,1-2H3,(H2,15,20)(H2,16,21,22)/t13-/m0/s1
InChIKeyRULYMXTUXOPDIG-ZDUSSCGKSA-N
XLogP0.67
TPSA133.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide?
The IUPAC name of (2S)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide (CID 171346373) is (2S)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide?
The canonical SMILES for (2S)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide is CC(C)C[C@@H](C(N)=O)n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1.
What is the InChIKey of (2S)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide?
The InChIKey is RULYMXTUXOPDIG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-9(2)7-13(14(15)20)19-8-12(17-18-19)10-3-5-11(6-4-10)23(16,21)22/h3-6,8-9,13H,7H2,1-2H3,(H2,15,20)(H2,16,21,22)/t13-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide?
(2S)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide has a molecular weight of 337.41 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide is sourced from PubChem (CID 171346373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).