N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide

C20H23N3O3S — CID 46762186

IUPACN-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC(=S)Nc1cccc(N(C)C(C)=O)c1
InChIInChI=1S/C20H23N3O3S/c1-4-12-26-18-11-6-5-10-17(18)19(25)22-20(27)21-15-8-7-9-16(13-15)23(3)14(2)24/h5-11,13H,4,12H2,1-3H3,(H2,21,22,25,27)
InChIKeyNYWOATUXPZSKPP-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.58
Rot. Bonds6

About N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide

N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide (PubChem CID 46762186) 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]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide
PubChem CID46762186
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC(=S)Nc1cccc(N(C)C(C)=O)c1
InChIInChI=1S/C20H23N3O3S/c1-4-12-26-18-11-6-5-10-17(18)19(25)22-20(27)21-15-8-7-9-16(13-15)23(3)14(2)24/h5-11,13H,4,12H2,1-3H3,(H2,21,22,25,27)
InChIKeyNYWOATUXPZSKPP-UHFFFAOYSA-N
XLogP3.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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]-2-(2-phenylethoxy)benzamide
CID 46762226
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide
CID 4926667
N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-bromobenzamide
CID 46762157
2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide
CID 17097026
N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17222179
N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-bromo-4-butoxybenzamide
CID 46762195
N-[(3-acetylphenyl)carbamothioyl]-2-hexoxybenzamide
CID 4942527
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-5-bromo-2-propoxybenzamide
CID 17351966
2-butoxy-N-[(3-chlorophenyl)carbamothioyl]benzamide
CID 4941315
N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide
CID 4948583
2-(2-ethoxyethoxy)-N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17222190
N-[(3-ethoxyphenyl)carbamothioyl]-2-hexoxybenzamide
CID 17098395

Frequently Asked Questions

What is the IUPAC name of N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide?
The IUPAC name of N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide (CID 46762186) is N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide.
What is the SMILES notation for N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide?
The canonical SMILES for N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)NC(=S)Nc1cccc(N(C)C(C)=O)c1.
What is the InChIKey of N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide?
The InChIKey is NYWOATUXPZSKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-4-12-26-18-11-6-5-10-17(18)19(25)22-20(27)21-15-8-7-9-16(13-15)23(3)14(2)24/h5-11,13H,4,12H2,1-3H3,(H2,21,22,25,27).
What are the key properties of N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide?
N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide has a molecular weight of 385.49 g/mol, XLogP of 3.58, 6 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]-2-propoxybenzamide is sourced from PubChem (CID 46762186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).