(2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide

C18H21NO4S — CID 129377377

IUPAC(2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide
SMILESCc1cccc(COc2cccc(NC(=O)[C@@H](C)S(C)(=O)=O)c2)c1
InChIInChI=1S/C18H21NO4S/c1-13-6-4-7-15(10-13)12-23-17-9-5-8-16(11-17)19-18(20)14(2)24(3,21)22/h4-11,14H,12H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyWLMHUQVNIVIUQI-CQSZACIVSA-N
MW347.44 g/mol
LogP2.95
Rot. Bonds6

About (2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide

(2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide (PubChem CID 129377377) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide
PubChem CID129377377
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name(2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide
SMILESCc1cccc(COc2cccc(NC(=O)[C@@H](C)S(C)(=O)=O)c2)c1
InChIInChI=1S/C18H21NO4S/c1-13-6-4-7-15(10-13)12-23-17-9-5-8-16(11-17)19-18(20)14(2)24(3,21)22/h4-11,14H,12H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyWLMHUQVNIVIUQI-CQSZACIVSA-N
XLogP2.95
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide 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-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 46517813
[3-[(3-methylphenyl)methoxy]phenyl]hydrazine
CID 82081355
(2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide
CID 97435359
(2R)-2-[[3-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoic acid
CID 95003579
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380
2-ethylsulfonyl-N-(3-methylphenyl)propanamide
CID 47207048
(2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide
CID 94090675
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 38735897
N-(3-ethoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 17098138
N-[4-[(3-methylphenyl)methoxy]phenyl]acetamide
CID 8522252
2-amino-4-methyl-N-[3-[(3-methylphenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 174610770
N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
CID 71934917

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide (CID 129377377) is (2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide is Cc1cccc(COc2cccc(NC(=O)[C@@H](C)S(C)(=O)=O)c2)c1.
What is the InChIKey of (2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide?
The InChIKey is WLMHUQVNIVIUQI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13-6-4-7-15(10-13)12-23-17-9-5-8-16(11-17)19-18(20)14(2)24(3,21)22/h4-11,14H,12H2,1-3H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide?
(2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide has a molecular weight of 347.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 129377377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).