N-[[[benzenecarbonothioyl(methyl)amino]methyl-methoxyphosphoryl]methyl]-N-methylbenzenecarbothioamide

C19H23N2O2PS2 — CID 158915678

IUPACN-[[[benzenecarbonothioyl(methyl)amino]methyl-methoxyphosphoryl]methyl]-N-methylbenzenecarbothioamide
SMILESCOP(=O)(CN(C)C(=S)c1ccccc1)CN(C)C(=S)c1ccccc1
InChIInChI=1S/C19H23N2O2PS2/c1-20(18(25)16-10-6-4-7-11-16)14-24(22,23-3)15-21(2)19(26)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyJHEUJTWUWQHYHF-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.44
Rot. Bonds7

About N-[[[benzenecarbonothioyl(methyl)amino]methyl-methoxyphosphoryl]methyl]-N-methylbenzenecarbothioamide

N-[[[benzenecarbonothioyl(methyl)amino]methyl-methoxyphosphoryl]methyl]-N-methylbenzenecarbothioamide (PubChem CID 158915678) has the molecular formula C19H23N2O2PS2 and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[[[benzenecarbonothioyl(methyl)amino]methyl-methoxyphosphoryl]methyl]-N-methylbenzenecarbothioamide.

Molecular Properties

Compound NameN-[[[benzenecarbonothioyl(methyl)amino]methyl-methoxyphosphoryl]methyl]-N-methylbenzenecarbothioamide
PubChem CID158915678
Molecular FormulaC19H23N2O2PS2
Molecular Weight406.51 g/mol
Exact Mass406.09
IUPAC NameN-[[[benzenecarbonothioyl(methyl)amino]methyl-methoxyphosphoryl]methyl]-N-methylbenzenecarbothioamide
SMILESCOP(=O)(CN(C)C(=S)c1ccccc1)CN(C)C(=S)c1ccccc1
InChIInChI=1S/C19H23N2O2PS2/c1-20(18(25)16-10-6-4-7-11-16)14-24(22,23-3)15-21(2)19(26)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyJHEUJTWUWQHYHF-UHFFFAOYSA-N
XLogP4.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[[benzenecarbonothioyl(methyl)amino]methyl-methoxyphosphoryl]methyl]-N-methylbenzenecarbothioamide 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-[[[benzenecarbonothioyl(methyl)amino]methyl-methoxyphosphoryl]methyl]-N-methylbenzenecarbothioamide?
The IUPAC name of N-[[[benzenecarbonothioyl(methyl)amino]methyl-methoxyphosphoryl]methyl]-N-methylbenzenecarbothioamide (CID 158915678) is N-[[[benzenecarbonothioyl(methyl)amino]methyl-methoxyphosphoryl]methyl]-N-methylbenzenecarbothioamide.
What is the SMILES notation for N-[[[benzenecarbonothioyl(methyl)amino]methyl-methoxyphosphoryl]methyl]-N-methylbenzenecarbothioamide?
The canonical SMILES for N-[[[benzenecarbonothioyl(methyl)amino]methyl-methoxyphosphoryl]methyl]-N-methylbenzenecarbothioamide is COP(=O)(CN(C)C(=S)c1ccccc1)CN(C)C(=S)c1ccccc1.
What is the InChIKey of N-[[[benzenecarbonothioyl(methyl)amino]methyl-methoxyphosphoryl]methyl]-N-methylbenzenecarbothioamide?
The InChIKey is JHEUJTWUWQHYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N2O2PS2/c1-20(18(25)16-10-6-4-7-11-16)14-24(22,23-3)15-21(2)19(26)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3.
What are the key properties of N-[[[benzenecarbonothioyl(methyl)amino]methyl-methoxyphosphoryl]methyl]-N-methylbenzenecarbothioamide?
N-[[[benzenecarbonothioyl(methyl)amino]methyl-methoxyphosphoryl]methyl]-N-methylbenzenecarbothioamide has a molecular weight of 406.51 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[benzenecarbonothioyl(methyl)amino]methyl-methoxyphosphoryl]methyl]-N-methylbenzenecarbothioamide is sourced from PubChem (CID 158915678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).