(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide

C20H24N2O4S — CID 30167351

IUPAC(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C20H24N2O4S/c1-3-14-21-20(23)19(15-16-8-6-5-7-9-16)22-27(24,25)18-12-10-17(11-13-18)26-4-2/h3,5-13,19,22H,1,4,14-15H2,2H3,(H,21,23)/t19-/m1/s1
InChIKeyJQICGRISVIJAER-LJQANCHMSA-N
MW388.49 g/mol
LogP2.28
Rot. Bonds10

About (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide

(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide (PubChem CID 30167351) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide
PubChem CID30167351
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C20H24N2O4S/c1-3-14-21-20(23)19(15-16-8-6-5-7-9-16)22-27(24,25)18-12-10-17(11-13-18)26-4-2/h3,5-13,19,22H,1,4,14-15H2,2H3,(H,21,23)/t19-/m1/s1
InChIKeyJQICGRISVIJAER-LJQANCHMSA-N
XLogP2.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide
CID 43890809
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 30167342
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891417
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 30167679
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167333
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167334
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 30167382
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 30167436
(2R)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30167399
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)-3-phenylpropanamide
CID 94534114
N-(4-chlorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891461

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide?
The IUPAC name of (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide (CID 30167351) is (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide.
What is the SMILES notation for (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide?
The canonical SMILES for (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide is C=CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)cc1.
What is the InChIKey of (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide?
The InChIKey is JQICGRISVIJAER-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-3-14-21-20(23)19(15-16-8-6-5-7-9-16)22-27(24,25)18-12-10-17(11-13-18)26-4-2/h3,5-13,19,22H,1,4,14-15H2,2H3,(H,21,23)/t19-/m1/s1.
What are the key properties of (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide?
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide has a molecular weight of 388.49 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 30167351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).