3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C20H23N3O5S — CID 24644663

IUPAC3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C20H23N3O5S/c1-28-17-7-9-18(10-8-17)29(26,27)21-12-11-19(24)22-15-4-2-5-16(14-15)23-13-3-6-20(23)25/h2,4-5,7-10,14,21H,3,6,11-13H2,1H3,(H,22,24)
InChIKeyRGSIXZZWOLXLPQ-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.13
Rot. Bonds8

About 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide

3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 24644663) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID24644663
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C20H23N3O5S/c1-28-17-7-9-18(10-8-17)29(26,27)21-12-11-19(24)22-15-4-2-5-16(14-15)23-13-3-6-20(23)25/h2,4-5,7-10,14,21H,3,6,11-13H2,1H3,(H,22,24)
InChIKeyRGSIXZZWOLXLPQ-UHFFFAOYSA-N
XLogP2.13
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 24644663) is 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide is COc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is RGSIXZZWOLXLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-28-17-7-9-18(10-8-17)29(26,27)21-12-11-19(24)22-15-4-2-5-16(14-15)23-13-3-6-20(23)25/h2,4-5,7-10,14,21H,3,6,11-13H2,1H3,(H,22,24).
What are the key properties of 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 417.49 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 24644663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).