3-[methylsulfonyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide

C20H24N2O4S — CID 113136599

IUPAC3-[methylsulfonyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
SMILESC=CCN(CCC(=O)Nc1ccc(OCc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C20H24N2O4S/c1-3-14-22(27(2,24)25)15-13-20(23)21-18-9-11-19(12-10-18)26-16-17-7-5-4-6-8-17/h3-12H,1,13-16H2,2H3,(H,21,23)
InChIKeyLUVCWWZAEKFOQO-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.04
Rot. Bonds10

About 3-[methylsulfonyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide

3-[methylsulfonyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 113136599) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-[methylsulfonyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[methylsulfonyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID113136599
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-[methylsulfonyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
SMILESC=CCN(CCC(=O)Nc1ccc(OCc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C20H24N2O4S/c1-3-14-22(27(2,24)25)15-13-20(23)21-18-9-11-19(12-10-18)26-16-17-7-5-4-6-8-17/h3-12H,1,13-16H2,2H3,(H,21,23)
InChIKeyLUVCWWZAEKFOQO-UHFFFAOYSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[methylsulfonyl(propyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113136007
3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113115673
3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113115474
[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
CID 42149432
3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide
CID 113138683
3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide
CID 113138694
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30266049
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468
2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 4241588
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977

Frequently Asked Questions

What is the IUPAC name of 3-[methylsulfonyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-[methylsulfonyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide (CID 113136599) is 3-[methylsulfonyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-[methylsulfonyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-[methylsulfonyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide is C=CCN(CCC(=O)Nc1ccc(OCc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of 3-[methylsulfonyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is LUVCWWZAEKFOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-3-14-22(27(2,24)25)15-13-20(23)21-18-9-11-19(12-10-18)26-16-17-7-5-4-6-8-17/h3-12H,1,13-16H2,2H3,(H,21,23).
What are the key properties of 3-[methylsulfonyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide?
3-[methylsulfonyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylsulfonyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 113136599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).