N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide

C15H21N5O3S — CID 124749289

IUPACN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ncnn2C)cc1
InChIInChI=1S/C15H21N5O3S/c1-4-9-18-24(22,23)13-7-5-12(6-8-13)15(21)19-11(2)14-16-10-17-20(14)3/h5-8,10-11,18H,4,9H2,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyAHGTZNGRMSHPHD-NSHDSACASA-N
MW351.43 g/mol
LogP0.99
Rot. Bonds7

About N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide

N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide (PubChem CID 124749289) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide
PubChem CID124749289
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC NameN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ncnn2C)cc1
InChIInChI=1S/C15H21N5O3S/c1-4-9-18-24(22,23)13-7-5-12(6-8-13)15(21)19-11(2)14-16-10-17-20(14)3/h5-8,10-11,18H,4,9H2,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyAHGTZNGRMSHPHD-NSHDSACASA-N
XLogP0.99
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 97146505
3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 129478499
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide
CID 91834351
4-ethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17108469
3-(3-aminopropoxy)-4-methoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 125162212
N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide
CID 109058046
4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 95148939
4-(2-cyanoethylsulfamoyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8742825
4-[2-(dimethylamino)ethylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 109060131
4-(2-morpholin-4-ylethylsulfamoyl)-N-propan-2-ylbenzamide
CID 109058127
4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193149

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide?
The IUPAC name of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide (CID 124749289) is N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide?
The canonical SMILES for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ncnn2C)cc1.
What is the InChIKey of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide?
The InChIKey is AHGTZNGRMSHPHD-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-4-9-18-24(22,23)13-7-5-12(6-8-13)15(21)19-11(2)14-16-10-17-20(14)3/h5-8,10-11,18H,4,9H2,1-3H3,(H,19,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide?
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide has a molecular weight of 351.43 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide is sourced from PubChem (CID 124749289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).