N-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide

C17H18N2O3S — CID 22306503

IUPACN-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide
SMILESCCN(Sc1ccccc1)C(=O)NC(=O)c1ccccc1OC
InChIInChI=1S/C17H18N2O3S/c1-3-19(23-13-9-5-4-6-10-13)17(21)18-16(20)14-11-7-8-12-15(14)22-2/h4-12H,3H2,1-2H3,(H,18,20,21)
InChIKeyFSSKVSDGVNFIQJ-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.57
Rot. Bonds5

About N-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide

N-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide (PubChem CID 22306503) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide
PubChem CID22306503
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide
SMILESCCN(Sc1ccccc1)C(=O)NC(=O)c1ccccc1OC
InChIInChI=1S/C17H18N2O3S/c1-3-19(23-13-9-5-4-6-10-13)17(21)18-16(20)14-11-7-8-12-15(14)22-2/h4-12H,3H2,1-2H3,(H,18,20,21)
InChIKeyFSSKVSDGVNFIQJ-UHFFFAOYSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide?
The IUPAC name of N-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide (CID 22306503) is N-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide.
What is the SMILES notation for N-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide?
The canonical SMILES for N-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide is CCN(Sc1ccccc1)C(=O)NC(=O)c1ccccc1OC.
What is the InChIKey of N-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide?
The InChIKey is FSSKVSDGVNFIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-3-19(23-13-9-5-4-6-10-13)17(21)18-16(20)14-11-7-8-12-15(14)22-2/h4-12H,3H2,1-2H3,(H,18,20,21).
What are the key properties of N-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide?
N-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide has a molecular weight of 330.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide is sourced from PubChem (CID 22306503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).