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

C20H29N3O5S — CID 2997632

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCCN1CCCC1=O
InChIInChI=1S/C20H29N3O5S/c24-19(21-10-2-12-22-11-1-3-20(22)25)9-6-17-4-7-18(8-5-17)29(26,27)23-13-15-28-16-14-23/h4-5,7-8H,1-3,6,9-16H2,(H,21,24)
InChIKeyOWIXMFUBTRICBW-UHFFFAOYSA-N
MW423.54 g/mol
LogP0.77
Rot. Bonds9

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

3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (PubChem CID 2997632) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
PubChem CID2997632
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCCN1CCCC1=O
InChIInChI=1S/C20H29N3O5S/c24-19(21-10-2-12-22-11-1-3-20(22)25)9-6-17-4-7-18(8-5-17)29(26,27)23-13-15-28-16-14-23/h4-5,7-8H,1-3,6,9-16H2,(H,21,24)
InChIKeyOWIXMFUBTRICBW-UHFFFAOYSA-N
XLogP0.77
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (CID 2997632) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCCN1CCCC1=O.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The InChIKey is OWIXMFUBTRICBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c24-19(21-10-2-12-22-11-1-3-20(22)25)9-6-17-4-7-18(8-5-17)29(26,27)23-13-15-28-16-14-23/h4-5,7-8H,1-3,6,9-16H2,(H,21,24).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide has a molecular weight of 423.54 g/mol, XLogP of 0.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is sourced from PubChem (CID 2997632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).