N-[[1-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide

C22H26N6O4S — CID 25177568

IUPACN-[[1-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide
SMILESCC(C)[C@@H](C(=O)NCc1ccccc1)n1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)nn1
InChIInChI=1S/C22H26N6O4S/c1-15(2)20(22(30)24-12-16-6-4-3-5-7-16)28-14-18(26-27-28)13-25-21(29)17-8-10-19(11-9-17)33(23,31)32/h3-11,14-15,20H,12-13H2,1-2H3,(H,24,30)(H,25,29)(H2,23,31,32)/t20-/m0/s1
InChIKeyVIQFUUJLRWADTC-FQEVSTJZSA-N
MW470.56 g/mol
LogP1.37
Rot. Bonds9

About N-[[1-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide

N-[[1-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide (PubChem CID 25177568) has the molecular formula C22H26N6O4S and a molecular weight of 470.56 g/mol. Its IUPAC name is N-[[1-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[[1-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide
PubChem CID25177568
Molecular FormulaC22H26N6O4S
Molecular Weight470.56 g/mol
Exact Mass470.17
IUPAC NameN-[[1-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide
SMILESCC(C)[C@@H](C(=O)NCc1ccccc1)n1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)nn1
InChIInChI=1S/C22H26N6O4S/c1-15(2)20(22(30)24-12-16-6-4-3-5-7-16)28-14-18(26-27-28)13-25-21(29)17-8-10-19(11-9-17)33(23,31)32/h3-11,14-15,20H,12-13H2,1-2H3,(H,24,30)(H,25,29)(H2,23,31,32)/t20-/m0/s1
InChIKeyVIQFUUJLRWADTC-FQEVSTJZSA-N
XLogP1.37
TPSA149.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[1-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide with MolForge

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Related Compounds

N-[[1-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide
CID 25177403
N-[[1-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide
CID 59621002
N-[[1-[(2S)-3-methyl-1-oxo-1-(4-phenylanilino)butan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide
CID 25177651
(2S)-3-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 57463927
N-benzyl-3-methyl-2-[4-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxymethyl]triazol-1-yl]butanamide
CID 68764404
N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]butanamide
CID 68763581
N-[[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]triazol-4-yl]methyl]benzamide
CID 138052169
N-[[1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide
CID 25177728
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
3-methyl-N-(pyridin-2-ylmethyl)-2-[4-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxymethyl]triazol-1-yl]butanamide
CID 68765238

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[[1-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide (CID 25177568) is N-[[1-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[[1-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[[1-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide is CC(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)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide?
The InChIKey is VIQFUUJLRWADTC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N6O4S/c1-15(2)20(22(30)24-12-16-6-4-3-5-7-16)28-14-18(26-27-28)13-25-21(29)17-8-10-19(11-9-17)33(23,31)32/h3-11,14-15,20H,12-13H2,1-2H3,(H,24,30)(H,25,29)(H2,23,31,32)/t20-/m0/s1.
What are the key properties of N-[[1-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide?
N-[[1-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide has a molecular weight of 470.56 g/mol, XLogP of 1.37, 9 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)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 25177568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).