N-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C21H25N5O3S — CID 52718659

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCCN(CCCNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)S(C)(=O)=O
InChIInChI=1S/C21H25N5O3S/c1-3-25(30(2,28)29)16-10-15-22-21(27)19-23-20(17-11-6-4-7-12-17)26(24-19)18-13-8-5-9-14-18/h4-9,11-14H,3,10,15-16H2,1-2H3,(H,22,27)
InChIKeyFGGRSDNMBLZLHQ-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.34
Rot. Bonds9

About N-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 52718659) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID52718659
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCCN(CCCNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)S(C)(=O)=O
InChIInChI=1S/C21H25N5O3S/c1-3-25(30(2,28)29)16-10-15-22-21(27)19-23-20(17-11-6-4-7-12-17)26(24-19)18-13-8-5-9-14-18/h4-9,11-14H,3,10,15-16H2,1-2H3,(H,22,27)
InChIKeyFGGRSDNMBLZLHQ-UHFFFAOYSA-N
XLogP2.34
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 60553494
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]butanoate
CID 37258916
1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 50745472
N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 52718736
N-[3-(dimethylamino)propyl]-5-(3-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 17052442
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 60552295
1-(3-chlorophenyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-methyltriazole-4-carboxamide
CID 55955481
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55956493
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
CID 115497535
5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 17052437
N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4851911

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 52718659) is N-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is CCN(CCCNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is FGGRSDNMBLZLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-3-25(30(2,28)29)16-10-15-22-21(27)19-23-20(17-11-6-4-7-12-17)26(24-19)18-13-8-5-9-14-18/h4-9,11-14H,3,10,15-16H2,1-2H3,(H,22,27).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 52718659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).