N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide

C19H21N3O3S — CID 4926667

IUPACN-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC(=S)Nc1ccc(N(C)C(C)=O)cc1
InChIInChI=1S/C19H21N3O3S/c1-4-25-17-8-6-5-7-16(17)18(24)21-19(26)20-14-9-11-15(12-10-14)22(3)13(2)23/h5-12H,4H2,1-3H3,(H2,20,21,24,26)
InChIKeyAFCWJKZFKFRMKD-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.19
Rot. Bonds5

About N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide

N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide (PubChem CID 4926667) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide
PubChem CID4926667
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC(=S)Nc1ccc(N(C)C(C)=O)cc1
InChIInChI=1S/C19H21N3O3S/c1-4-25-17-8-6-5-7-16(17)18(24)21-19(26)20-14-9-11-15(12-10-14)22(3)13(2)23/h5-12H,4H2,1-3H3,(H2,20,21,24,26)
InChIKeyAFCWJKZFKFRMKD-UHFFFAOYSA-N
XLogP3.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.19
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-[(4-anilinophenyl)carbamothioyl]-2-ethoxybenzamide
CID 4926669
2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide
CID 4926674
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-chlorobenzamide
CID 4626889
N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-ethoxybenzamide
CID 17202756
N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide
CID 17251773
N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide
CID 46762186
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17130749
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-5-bromo-2-propoxybenzamide
CID 17351966
N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 46762226
N-[[4-(diethylamino)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628362
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
N-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioyl]-2-ethoxybenzamide
CID 4926856

Frequently Asked Questions

What is the IUPAC name of N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide?
The IUPAC name of N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide (CID 4926667) is N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide?
The canonical SMILES for N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NC(=S)Nc1ccc(N(C)C(C)=O)cc1.
What is the InChIKey of N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide?
The InChIKey is AFCWJKZFKFRMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-25-17-8-6-5-7-16(17)18(24)21-19(26)20-14-9-11-15(12-10-14)22(3)13(2)23/h5-12H,4H2,1-3H3,(H2,20,21,24,26).
What are the key properties of N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide?
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide has a molecular weight of 371.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide is sourced from PubChem (CID 4926667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).