3-[ethyl(phenyl)sulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

C25H25N5O3S — CID 25383114

IUPAC3-[ethyl(phenyl)sulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1
InChIInChI=1S/C25H25N5O3S/c1-3-30(23-9-5-4-6-10-23)34(32,33)24-11-7-8-21(16-24)25(31)28-19(2)20-12-14-22(15-13-20)29-18-26-17-27-29/h4-19H,3H2,1-2H3,(H,28,31)/t19-/m1/s1
InChIKeyFKAHHPXQPLWSFW-LJQANCHMSA-N
MW475.57 g/mol
LogP3.97
Rot. Bonds8

About 3-[ethyl(phenyl)sulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

3-[ethyl(phenyl)sulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (PubChem CID 25383114) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is 3-[ethyl(phenyl)sulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-[ethyl(phenyl)sulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
PubChem CID25383114
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Name3-[ethyl(phenyl)sulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1
InChIInChI=1S/C25H25N5O3S/c1-3-30(23-9-5-4-6-10-23)34(32,33)24-11-7-8-21(16-24)25(31)28-19(2)20-12-14-22(15-13-20)29-18-26-17-27-29/h4-19H,3H2,1-2H3,(H,28,31)/t19-/m1/s1
InChIKeyFKAHHPXQPLWSFW-LJQANCHMSA-N
XLogP3.97
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582876
3-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17494838
3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 41074571
3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 41074570
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 60592964
4-(methylsulfamoyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 51221629
3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 55461455
1-methyl-2-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 35710633
3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 78804509
3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46436913
N-[(2R)-1-oxo-3-phenyl-1-[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]propan-2-yl]benzamide
CID 25496868
N-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 55633487

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (CID 25383114) is 3-[ethyl(phenyl)sulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-[ethyl(phenyl)sulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-[ethyl(phenyl)sulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1.
What is the InChIKey of 3-[ethyl(phenyl)sulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The InChIKey is FKAHHPXQPLWSFW-LJQANCHMSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-3-30(23-9-5-4-6-10-23)34(32,33)24-11-7-8-21(16-24)25(31)28-19(2)20-12-14-22(15-13-20)29-18-26-17-27-29/h4-19H,3H2,1-2H3,(H,28,31)/t19-/m1/s1.
What are the key properties of 3-[ethyl(phenyl)sulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
3-[ethyl(phenyl)sulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide has a molecular weight of 475.57 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phenyl)sulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 25383114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).