N-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide

C18H21NO4S — CID 95616819

IUPACN-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide
SMILESCOc1ccccc1[C@@H](NC(=O)CCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H21NO4S/c1-23-16-11-7-6-10-15(16)18(14-8-4-3-5-9-14)19-17(20)12-13-24(2,21)22/h3-11,18H,12-13H2,1-2H3,(H,19,20)/t18-/m0/s1
InChIKeyLDZOZTPWKQNBNE-SFHVURJKSA-N
MW347.44 g/mol
LogP2.34
Rot. Bonds7

About N-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide

N-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide (PubChem CID 95616819) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide
PubChem CID95616819
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide
SMILESCOc1ccccc1[C@@H](NC(=O)CCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H21NO4S/c1-23-16-11-7-6-10-15(16)18(14-8-4-3-5-9-14)19-17(20)12-13-24(2,21)22/h3-11,18H,12-13H2,1-2H3,(H,19,20)/t18-/m0/s1
InChIKeyLDZOZTPWKQNBNE-SFHVURJKSA-N
XLogP2.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 125052831
N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4117512
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide
CID 103946356
N-[(S)-(2-methoxyphenyl)-(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 129432320
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92678174
3-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)-phenylmethyl]propanamide
CID 132763053
3-(benzenesulfonyl)-N-benzhydrylpropanamide
CID 17310061
1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea
CID 97075992
4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide
CID 132659275
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43885736
3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 78778808

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide (CID 95616819) is N-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide is COc1ccccc1[C@@H](NC(=O)CCS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide?
The InChIKey is LDZOZTPWKQNBNE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-23-16-11-7-6-10-15(16)18(14-8-4-3-5-9-14)19-17(20)12-13-24(2,21)22/h3-11,18H,12-13H2,1-2H3,(H,19,20)/t18-/m0/s1.
What are the key properties of N-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide?
N-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide has a molecular weight of 347.44 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 95616819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).