N-[4-[(3-prop-2-enyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfamoyl]phenyl]acetamide

C14H19N5O3S — CID 705651

IUPACN-[4-[(3-prop-2-enyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfamoyl]phenyl]acetamide
SMILESC=CCN1CN=C(NS(=O)(=O)c2ccc(NC(C)=O)cc2)NC1
InChIInChI=1S/C14H19N5O3S/c1-3-8-19-9-15-14(16-10-19)18-23(21,22)13-6-4-12(5-7-13)17-11(2)20/h3-7H,1,8-10H2,2H3,(H,17,20)(H2,15,16,18)
InChIKeyPMMSWOWUCUHILD-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.29
Rot. Bonds5

About N-[4-[(3-prop-2-enyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfamoyl]phenyl]acetamide

N-[4-[(3-prop-2-enyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfamoyl]phenyl]acetamide (PubChem CID 705651) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-[4-[(3-prop-2-enyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-prop-2-enyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfamoyl]phenyl]acetamide
PubChem CID705651
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN-[4-[(3-prop-2-enyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfamoyl]phenyl]acetamide
SMILESC=CCN1CN=C(NS(=O)(=O)c2ccc(NC(C)=O)cc2)NC1
InChIInChI=1S/C14H19N5O3S/c1-3-8-19-9-15-14(16-10-19)18-23(21,22)13-6-4-12(5-7-13)17-11(2)20/h3-7H,1,8-10H2,2H3,(H,17,20)(H2,15,16,18)
InChIKeyPMMSWOWUCUHILD-UHFFFAOYSA-N
XLogP0.29
TPSA102.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-prop-2-enyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-prop-2-enyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfamoyl]phenyl]acetamide (CID 705651) is N-[4-[(3-prop-2-enyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-prop-2-enyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-prop-2-enyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfamoyl]phenyl]acetamide is C=CCN1CN=C(NS(=O)(=O)c2ccc(NC(C)=O)cc2)NC1.
What is the InChIKey of N-[4-[(3-prop-2-enyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is PMMSWOWUCUHILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-3-8-19-9-15-14(16-10-19)18-23(21,22)13-6-4-12(5-7-13)17-11(2)20/h3-7H,1,8-10H2,2H3,(H,17,20)(H2,15,16,18).
What are the key properties of N-[4-[(3-prop-2-enyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(3-prop-2-enyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 337.41 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-prop-2-enyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 705651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).