N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide

C18H18N2O4S — CID 1209253

IUPACN-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C18H18N2O4S/c1-11(21)12-5-4-6-14(7-12)19-18(25)20-17(22)13-8-15(23-2)10-16(9-13)24-3/h4-10H,1-3H3,(H2,19,20,22,25)
InChIKeyODWWUNKGKPMJJT-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.03
Rot. Bonds5

About N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide

N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide (PubChem CID 1209253) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide
PubChem CID1209253
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C18H18N2O4S/c1-11(21)12-5-4-6-14(7-12)19-18(25)20-17(22)13-8-15(23-2)10-16(9-13)24-3/h4-10H,1-3H3,(H2,19,20,22,25)
InChIKeyODWWUNKGKPMJJT-UHFFFAOYSA-N
XLogP3.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)carbamothioyl]-3,5-dimethoxybenzamide
CID 1344751
N-[(3-acetylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 2279251
N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethylbenzamide
CID 918692
N-[(3-acetylphenyl)carbamothioyl]-3-ethoxybenzamide
CID 4530802
N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3,5-dimethoxybenzamide
CID 23099208
3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
CID 882848
3-[(4-methoxybenzoyl)carbamothioylamino]benzoic acid
CID 802596
N-[(3-acetylphenyl)carbamothioyl]-4-fluorobenzamide
CID 2897228
N-[(3-methoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 801924
N-[(3-acetylphenyl)carbamothioyl]-5-chloro-2-methoxybenzamide
CID 1227606
N-[(3-acetylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
CID 1139342
N-[(4-aminophenyl)carbamothioyl]-3-methoxybenzamide
CID 87563448

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide (CID 1209253) is N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide?
The InChIKey is ODWWUNKGKPMJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-11(21)12-5-4-6-14(7-12)19-18(25)20-17(22)13-8-15(23-2)10-16(9-13)24-3/h4-10H,1-3H3,(H2,19,20,22,25).
What are the key properties of N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide?
N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide has a molecular weight of 358.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 1209253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).