N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide

C20H23N3O3S — CID 46762190

IUPACN-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
SMILESCC(=O)N(C)c1cccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C20H23N3O3S/c1-13(2)26-18-10-8-15(9-11-18)19(25)22-20(27)21-16-6-5-7-17(12-16)23(4)14(3)24/h5-13H,1-4H3,(H2,21,22,25,27)
InChIKeyCFMAAWOWCPIAGO-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.58
Rot. Bonds5

About N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide

N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide (PubChem CID 46762190) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
PubChem CID46762190
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
SMILESCC(=O)N(C)c1cccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C20H23N3O3S/c1-13(2)26-18-10-8-15(9-11-18)19(25)22-20(27)21-16-6-5-7-17(12-16)23(4)14(3)24/h5-13H,1-4H3,(H2,21,22,25,27)
InChIKeyCFMAAWOWCPIAGO-UHFFFAOYSA-N
XLogP3.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 46762223
4-butan-2-yloxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154943
N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-bromo-4-methylbenzamide
CID 46762150
N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17122622
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-butan-2-yloxybenzamide
CID 17141488
N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17235868
3-[(4-propan-2-yloxybenzoyl)carbamothioylamino]-N-propylbenzamide
CID 17223070
4-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 4952176
N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-bromo-4-butoxybenzamide
CID 46762195
N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 823882
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide
CID 823875

Frequently Asked Questions

What is the IUPAC name of N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide (CID 46762190) is N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide is CC(=O)N(C)c1cccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1.
What is the InChIKey of N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide?
The InChIKey is CFMAAWOWCPIAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13(2)26-18-10-8-15(9-11-18)19(25)22-20(27)21-16-6-5-7-17(12-16)23(4)14(3)24/h5-13H,1-4H3,(H2,21,22,25,27).
What are the key properties of N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide?
N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide has a molecular weight of 385.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 46762190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).