N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide

C19H21FN2O4S — CID 7964597

IUPACN-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)NC(=O)CSc2ccccc2F)cc1OCC
InChIInChI=1S/C19H21FN2O4S/c1-3-25-15-10-9-13(11-16(15)26-4-2)21-19(24)22-18(23)12-27-17-8-6-5-7-14(17)20/h5-11H,3-4,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyMBYSMYSLYNWNJE-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.06
Rot. Bonds8

About N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide

N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 7964597) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID7964597
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)NC(=O)CSc2ccccc2F)cc1OCC
InChIInChI=1S/C19H21FN2O4S/c1-3-25-15-10-9-13(11-16(15)26-4-2)21-19(24)22-18(23)12-27-17-8-6-5-7-14(17)20/h5-11H,3-4,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyMBYSMYSLYNWNJE-UHFFFAOYSA-N
XLogP4.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide 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

N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046452
N-[(3,4-diethoxyphenyl)carbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 8605339
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide
CID 7756293
N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7675451
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821118
N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide
CID 26212684
2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide
CID 8705434
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 47089567
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide
CID 17021884
2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide
CID 7466998
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide (CID 7964597) is N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide is CCOc1ccc(NC(=O)NC(=O)CSc2ccccc2F)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is MBYSMYSLYNWNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-3-25-15-10-9-13(11-16(15)26-4-2)21-19(24)22-18(23)12-27-17-8-6-5-7-14(17)20/h5-11H,3-4,12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide?
N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 392.45 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 7964597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).