N-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide

C19H16N2O3S — CID 1339791

IUPACN-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)c1ccc(NC(=S)NC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C19H16N2O3S/c1-11-15-5-3-4-6-16(15)24-17(11)18(23)21-19(25)20-14-9-7-13(8-10-14)12(2)22/h3-10H,1-2H3,(H2,20,21,23,25)
InChIKeyAVMPAYNNMCAZOJ-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.07
Rot. Bonds3

About N-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide

N-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 1339791) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID1339791
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)c1ccc(NC(=S)NC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C19H16N2O3S/c1-11-15-5-3-4-6-16(15)24-17(11)18(23)21-19(25)20-14-9-7-13(8-10-14)12(2)22/h3-10H,1-2H3,(H2,20,21,23,25)
InChIKeyAVMPAYNNMCAZOJ-UHFFFAOYSA-N
XLogP4.07
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 880265
N-[[4-(diethylamino)phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
CID 1340149
3-methyl-N-(pyridin-3-ylcarbamothioyl)-1-benzofuran-2-carboxamide
CID 741784
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
CID 2902673
1-(4-chlorophenyl)-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 8746989
3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 741782
3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 1343003
N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
CID 2172889
N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 7464080
1-(3,5-dimethylphenyl)-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 8001022
1-(4-acetylphenyl)-3-(1,2-benzoxazol-3-yl)thiourea
CID 15983490
N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide (CID 1339791) is N-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide is CC(=O)c1ccc(NC(=S)NC(=O)c2oc3ccccc3c2C)cc1.
What is the InChIKey of N-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is AVMPAYNNMCAZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-11-15-5-3-4-6-16(15)24-17(11)18(23)21-19(25)20-14-9-7-13(8-10-14)12(2)22/h3-10H,1-2H3,(H2,20,21,23,25).
What are the key properties of N-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1339791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).