N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide

C19H22ClNO4S — CID 90623823

IUPACN-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCOC(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccccc1Cl
InChIInChI=1S/C19H22ClNO4S/c1-25-18(16-5-3-4-6-17(16)20)13-21-19(22)12-9-14-7-10-15(11-8-14)26(2,23)24/h3-8,10-11,18H,9,12-13H2,1-2H3,(H,21,22)
InChIKeyQFOGWGWDNWDQAG-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.18
Rot. Bonds8

About N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide

N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide (PubChem CID 90623823) has the molecular formula C19H22ClNO4S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide
PubChem CID90623823
Molecular FormulaC19H22ClNO4S
Molecular Weight395.91 g/mol
Exact Mass395.10
IUPAC NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCOC(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccccc1Cl
InChIInChI=1S/C19H22ClNO4S/c1-25-18(16-5-3-4-6-17(16)20)13-21-19(22)12-9-14-7-10-15(11-8-14)26(2,23)24/h3-8,10-11,18H,9,12-13H2,1-2H3,(H,21,22)
InChIKeyQFOGWGWDNWDQAG-UHFFFAOYSA-N
XLogP3.18
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide 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-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide
CID 121021281
3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 99876162
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90623769
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 46522484
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 99593313
N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 90623943
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-naphthalen-1-ylacetamide
CID 99876133
3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784514
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90623723
1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
CID 99876265

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide (CID 90623823) is N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide is COC(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide?
The InChIKey is QFOGWGWDNWDQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4S/c1-25-18(16-5-3-4-6-17(16)20)13-21-19(22)12-9-14-7-10-15(11-8-14)26(2,23)24/h3-8,10-11,18H,9,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide?
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide has a molecular weight of 395.91 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 90623823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).