3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide

C17H19N7O5S — CID 67645131

IUPAC3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide
SMILESCOc1nc(C)nc(NC(=O)N(c2ccccc2C#CC(=O)N(C)C)S(N)(=O)=O)n1
InChIInChI=1S/C17H19N7O5S/c1-11-19-15(21-16(20-11)29-4)22-17(26)24(30(18,27)28)13-8-6-5-7-12(13)9-10-14(25)23(2)3/h5-8H,1-4H3,(H2,18,27,28)(H,19,20,21,22,26)
InChIKeyHFIVJSKYROJRIN-UHFFFAOYSA-N
MW433.45 g/mol
LogP-0.13
Rot. Bonds4

About 3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide

3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide (PubChem CID 67645131) has the molecular formula C17H19N7O5S and a molecular weight of 433.45 g/mol. Its IUPAC name is 3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide.

Molecular Properties

Compound Name3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide
PubChem CID67645131
Molecular FormulaC17H19N7O5S
Molecular Weight433.45 g/mol
Exact Mass433.12
IUPAC Name3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide
SMILESCOc1nc(C)nc(NC(=O)N(c2ccccc2C#CC(=O)N(C)C)S(N)(=O)=O)n1
InChIInChI=1S/C17H19N7O5S/c1-11-19-15(21-16(20-11)29-4)22-17(26)24(30(18,27)28)13-8-6-5-7-12(13)9-10-14(25)23(2)3/h5-8H,1-4H3,(H2,18,27,28)(H,19,20,21,22,26)
InChIKeyHFIVJSKYROJRIN-UHFFFAOYSA-N
XLogP-0.13
TPSA160.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide 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 3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide?
The IUPAC name of 3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide (CID 67645131) is 3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide.
What is the SMILES notation for 3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide?
The canonical SMILES for 3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide is COc1nc(C)nc(NC(=O)N(c2ccccc2C#CC(=O)N(C)C)S(N)(=O)=O)n1.
What is the InChIKey of 3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide?
The InChIKey is HFIVJSKYROJRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O5S/c1-11-19-15(21-16(20-11)29-4)22-17(26)24(30(18,27)28)13-8-6-5-7-12(13)9-10-14(25)23(2)3/h5-8H,1-4H3,(H2,18,27,28)(H,19,20,21,22,26).
What are the key properties of 3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide?
3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide has a molecular weight of 433.45 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl-sulfamoylamino]phenyl]-N,N-dimethylprop-2-ynamide is sourced from PubChem (CID 67645131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).