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

C14H19N5O3S — CID 177374292

IUPAC(2R)-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-/m1/s1
InChIKeyRULYMXTUXOPDIG-CYBMUJFWSA-N
MW337.41 g/mol
LogP0.67
Rot. Bonds6

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

(2R)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide (PubChem CID 177374292) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is (2R)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide.

Molecular Properties

Compound Name(2R)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide
PubChem CID177374292
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name(2R)-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-/m1/s1
InChIKeyRULYMXTUXOPDIG-CYBMUJFWSA-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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Related Compounds

methyl 3-[[(2S)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]propanoyl]amino]propanoate
CID 174607670
(2S)-3-methyl-N-[2-(2-propoxyethoxy)ethyl]-2-[4-(4-sulfamoylphenyl)triazol-1-yl]butanamide
CID 126549640
N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]butanamide
CID 68763581
(2S)-3-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 57463927
tert-butyl N-[2-[2-[2-[[3-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]butanoyl]amino]ethoxy]ethoxy]ethyl]carbamate
CID 123538130
(2S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]propanamide
CID 59552678
ethyl 4-[[3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]butanoyl]amino]butanoate
CID 174592924
N-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide
CID 25177403
2-fluoroethyl-dimethyl-[[5-[[[3-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]butanoyl]amino]methyl]furan-2-yl]methyl]azanium bromide
CID 57479990
4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide
CID 71723308
3-methyl-1-[4-(1-propan-2-yltriazol-4-yl)phenyl]butan-2-one
CID 164936251
4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide
CID 71723171

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide?
The IUPAC name of (2R)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide (CID 177374292) is (2R)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide.
What is the SMILES notation for (2R)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide?
The canonical SMILES for (2R)-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 (2R)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide?
The InChIKey is RULYMXTUXOPDIG-CYBMUJFWSA-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-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide?
(2R)-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 (2R)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide is sourced from PubChem (CID 177374292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).