2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide

C19H21N3O4S — CID 2973406

IUPAC2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H21N3O4S/c20-19(24)17(13-14-5-2-1-3-6-14)21-27(25,26)16-10-8-15(9-11-16)22-12-4-7-18(22)23/h1-3,5-6,8-11,17,21H,4,7,12-13H2,(H2,20,24)
InChIKeyMWPVDOBHYKSOAI-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.19
Rot. Bonds7

About 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide

2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide (PubChem CID 2973406) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide
PubChem CID2973406
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H21N3O4S/c20-19(24)17(13-14-5-2-1-3-6-14)21-27(25,26)16-10-8-15(9-11-16)22-12-4-7-18(22)23/h1-3,5-6,8-11,17,21H,4,7,12-13H2,(H2,20,24)
InChIKeyMWPVDOBHYKSOAI-UHFFFAOYSA-N
XLogP1.19
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide?
The IUPAC name of 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide (CID 2973406) is 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide is NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide?
The InChIKey is MWPVDOBHYKSOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c20-19(24)17(13-14-5-2-1-3-6-14)21-27(25,26)16-10-8-15(9-11-16)22-12-4-7-18(22)23/h1-3,5-6,8-11,17,21H,4,7,12-13H2,(H2,20,24).
What are the key properties of 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide?
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide has a molecular weight of 387.46 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 2973406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).