(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide

C23H27N3O6S — CID 41213761

IUPAC(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
SMILESC[C@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H27N3O6S/c1-17(32-20-7-3-6-19(16-20)26-10-4-9-22(26)27)23(28)24-18-5-2-8-21(15-18)33(29,30)25-11-13-31-14-12-25/h2-3,5-8,15-17H,4,9-14H2,1H3,(H,24,28)/t17-/m0/s1
InChIKeyCAZJXMHDKONYIP-KRWDZBQOSA-N
MW473.55 g/mol
LogP2.24
Rot. Bonds7

About (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide

(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide (PubChem CID 41213761) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
PubChem CID41213761
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
SMILESC[C@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H27N3O6S/c1-17(32-20-7-3-6-19(16-20)26-10-4-9-22(26)27)23(28)24-18-5-2-8-21(15-18)33(29,30)25-11-13-31-14-12-25/h2-3,5-8,15-17H,4,9-14H2,1H3,(H,24,28)/t17-/m0/s1
InChIKeyCAZJXMHDKONYIP-KRWDZBQOSA-N
XLogP2.24
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
CID 25408427
2-(3-fluorophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 86926058
(2S)-N-(3-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 7612920
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
1-O-methyl 4-O-[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] benzene-1,4-dicarboxylate
CID 42985084
(2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)propanamide
CID 7689037
(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 92681474
2-(3-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 132761519
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenoxypropanamide
CID 43009352
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide
CID 43876928

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide?
The IUPAC name of (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide (CID 41213761) is (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide is C[C@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide?
The InChIKey is CAZJXMHDKONYIP-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-17(32-20-7-3-6-19(16-20)26-10-4-9-22(26)27)23(28)24-18-5-2-8-21(15-18)33(29,30)25-11-13-31-14-12-25/h2-3,5-8,15-17H,4,9-14H2,1H3,(H,24,28)/t17-/m0/s1.
What are the key properties of (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide?
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide has a molecular weight of 473.55 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide is sourced from PubChem (CID 41213761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).