N-[4-[[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]acetamide

C17H17N5O3S — CID 647877

IUPACN-[4-[[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2nc(-c3ccc(C)cc3)nc2N)cc1
InChIInChI=1S/C17H17N5O3S/c1-11-3-5-13(6-4-11)16-20-17(18)22(21-16)26(24,25)15-9-7-14(8-10-15)19-12(2)23/h3-10H,1-2H3,(H,19,23)(H2,18,20,21)
InChIKeyKCURUOSTGMPPAR-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.03
Rot. Bonds4

About N-[4-[[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]acetamide

N-[4-[[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]acetamide (PubChem CID 647877) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[4-[[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]acetamide
PubChem CID647877
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN-[4-[[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2nc(-c3ccc(C)cc3)nc2N)cc1
InChIInChI=1S/C17H17N5O3S/c1-11-3-5-13(6-4-11)16-20-17(18)22(21-16)26(24,25)15-9-7-14(8-10-15)19-12(2)23/h3-10H,1-2H3,(H,19,23)(H2,18,20,21)
InChIKeyKCURUOSTGMPPAR-UHFFFAOYSA-N
XLogP2.03
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]acetamide (CID 647877) is N-[4-[[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)n2nc(-c3ccc(C)cc3)nc2N)cc1.
What is the InChIKey of N-[4-[[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]acetamide?
The InChIKey is KCURUOSTGMPPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-11-3-5-13(6-4-11)16-20-17(18)22(21-16)26(24,25)15-9-7-14(8-10-15)19-12(2)23/h3-10H,1-2H3,(H,19,23)(H2,18,20,21).
What are the key properties of N-[4-[[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]acetamide?
N-[4-[[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]acetamide has a molecular weight of 371.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 647877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).