N-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide

C23H28N6O4S — CID 25177403

IUPACN-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide
SMILESCC(C)C[C@@H](C(=O)NCc1ccccc1)n1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)nn1
InChIInChI=1S/C23H28N6O4S/c1-16(2)12-21(23(31)25-13-17-6-4-3-5-7-17)29-15-19(27-28-29)14-26-22(30)18-8-10-20(11-9-18)34(24,32)33/h3-11,15-16,21H,12-14H2,1-2H3,(H,25,31)(H,26,30)(H2,24,32,33)/t21-/m0/s1
InChIKeyYCNMPMXKXANKKU-NRFANRHFSA-N
MW484.58 g/mol
LogP1.76
Rot. Bonds10

About N-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide

N-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide (PubChem CID 25177403) has the molecular formula C23H28N6O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide
PubChem CID25177403
Molecular FormulaC23H28N6O4S
Molecular Weight484.58 g/mol
Exact Mass484.19
IUPAC NameN-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide
SMILESCC(C)C[C@@H](C(=O)NCc1ccccc1)n1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)nn1
InChIInChI=1S/C23H28N6O4S/c1-16(2)12-21(23(31)25-13-17-6-4-3-5-7-17)29-15-19(27-28-29)14-26-22(30)18-8-10-20(11-9-18)34(24,32)33/h3-11,15-16,21H,12-14H2,1-2H3,(H,25,31)(H,26,30)(H2,24,32,33)/t21-/m0/s1
InChIKeyYCNMPMXKXANKKU-NRFANRHFSA-N
XLogP1.76
TPSA149.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide with MolForge

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Related Compounds

N-[[1-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide
CID 25177568
N-[[1-[(2S)-3-methyl-1-oxo-1-(4-phenylanilino)butan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide
CID 25177651
N-[[1-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide
CID 59621002
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
N-[[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]triazol-4-yl]methyl]benzamide
CID 138052169
(2R)-4-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]pentanamide
CID 177374292
(2S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]propanamide
CID 59552678
N-[[1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide
CID 25177728
methyl 3-[[(2S)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]propanoyl]amino]propanoate
CID 174607670
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
N-benzyl-4-(1-phenylethylsulfamoyl)benzamide
CID 109060541

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide (CID 25177403) is N-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide is CC(C)C[C@@H](C(=O)NCc1ccccc1)n1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)nn1.
What is the InChIKey of N-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide?
The InChIKey is YCNMPMXKXANKKU-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28N6O4S/c1-16(2)12-21(23(31)25-13-17-6-4-3-5-7-17)29-15-19(27-28-29)14-26-22(30)18-8-10-20(11-9-18)34(24,32)33/h3-11,15-16,21H,12-14H2,1-2H3,(H,25,31)(H,26,30)(H2,24,32,33)/t21-/m0/s1.
What are the key properties of N-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide?
N-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide has a molecular weight of 484.58 g/mol, XLogP of 1.76, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 25177403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).