Skip to content

(2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide

C23H30N2O5S — CID 98377173

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1C
InChIInChI=1S/C23H30N2O5S/c1-15-7-6-8-22(18(15)4)30-19(5)23(26)24-20-9-11-21(12-10-20)31(27,28)25-13-16(2)29-17(3)14-25/h6-12,16-17,19H,13-14H2,1-5H3,(H,24,26)/t16-,17-,19-/m0/s1
InChIKeyJOBKIPLYEJEMHH-LNLFQRSKSA-N
MW446.57 g/mol
LogP3.51
Rot. Bonds6

About (2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide

(2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 98377173) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is (2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide
PubChem CID98377173
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name(2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1C
InChIInChI=1S/C23H30N2O5S/c1-15-7-6-8-22(18(15)4)30-19(5)23(26)24-20-9-11-21(12-10-20)31(27,28)25-13-16(2)29-17(3)14-25/h6-12,16-17,19H,13-14H2,1-5H3,(H,24,26)/t16-,17-,19-/m0/s1
InChIKeyJOBKIPLYEJEMHH-LNLFQRSKSA-N
XLogP3.51
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide (CID 98377173) is (2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1C.
What is the InChIKey of (2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is JOBKIPLYEJEMHH-LNLFQRSKSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-15-7-6-8-22(18(15)4)30-19(5)23(26)24-20-9-11-21(12-10-20)31(27,28)25-13-16(2)29-17(3)14-25/h6-12,16-17,19H,13-14H2,1-5H3,(H,24,26)/t16-,17-,19-/m0/s1.
What are the key properties of (2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide?
(2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 446.57 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 98377173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.