(2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide

C19H23NO4S — CID 51947128

IUPAC(2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide
SMILESCCN(C(=O)[C@H](C)S(=O)(=O)Cc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C19H23NO4S/c1-4-20(17-10-6-5-7-11-17)19(21)15(2)25(22,23)14-16-9-8-12-18(13-16)24-3/h5-13,15H,4,14H2,1-3H3/t15-/m0/s1
InChIKeyDCBRWLJVMDAAKD-HNNXBMFYSA-N
MW361.46 g/mol
LogP3.05
Rot. Bonds7

About (2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide

(2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide (PubChem CID 51947128) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide
PubChem CID51947128
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name(2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide
SMILESCCN(C(=O)[C@H](C)S(=O)(=O)Cc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C19H23NO4S/c1-4-20(17-10-6-5-7-11-17)19(21)15(2)25(22,23)14-16-9-8-12-18(13-16)24-3/h5-13,15H,4,14H2,1-3H3/t15-/m0/s1
InChIKeyDCBRWLJVMDAAKD-HNNXBMFYSA-N
XLogP3.05
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
CID 108900948
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
N-ethyl-3-(3-methoxy-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113144633
N-(3,5-dimethylphenyl)-N-ethyl-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55965541
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
(2R)-N-ethyl-N-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfonyl]propanamide
CID 51947072
1-methoxy-3-[(3-methoxyphenyl)methylsulfonylmethyl]benzene
CID 20702839
3-[(3-methoxyphenyl)methylsulfonyl]butan-1-amine
CID 81195040
N-ethyl-N-(4-fluorophenyl)-2-(3-methoxyphenyl)acetamide
CID 60592511
N-benzyl-N-ethyl-2-[(3-methoxyphenyl)methoxy]propanamide
CID 86985438
1-(benzenesulfonylmethyl)-3-methoxybenzene;ethane
CID 176977930
2-[(3-methoxyphenyl)methylsulfonyl]-2-methylpropanoic acid
CID 81229600

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide?
The IUPAC name of (2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide (CID 51947128) is (2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide?
The canonical SMILES for (2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide is CCN(C(=O)[C@H](C)S(=O)(=O)Cc1cccc(OC)c1)c1ccccc1.
What is the InChIKey of (2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide?
The InChIKey is DCBRWLJVMDAAKD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-4-20(17-10-6-5-7-11-17)19(21)15(2)25(22,23)14-16-9-8-12-18(13-16)24-3/h5-13,15H,4,14H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide?
(2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide has a molecular weight of 361.46 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide is sourced from PubChem (CID 51947128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).