(4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone

C24H30N2O4S — CID 56800413

IUPAC(4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
SMILESCCC(c1ccccc1)C1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H30N2O4S/c1-2-22(19-7-4-3-5-8-19)23-9-6-14-26(23)24(27)20-10-12-21(13-11-20)31(28,29)25-15-17-30-18-16-25/h3-5,7-8,10-13,22-23H,2,6,9,14-18H2,1H3
InChIKeyUHYJRFLURFRWGM-UHFFFAOYSA-N
MW442.58 g/mol
LogP3.51
Rot. Bonds6

About (4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone

(4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone (PubChem CID 56800413) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is (4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
PubChem CID56800413
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC Name(4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
SMILESCCC(c1ccccc1)C1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H30N2O4S/c1-2-22(19-7-4-3-5-8-19)23-9-6-14-26(23)24(27)20-10-12-21(13-11-20)31(28,29)25-15-17-30-18-16-25/h3-5,7-8,10-13,22-23H,2,6,9,14-18H2,1H3
InChIKeyUHYJRFLURFRWGM-UHFFFAOYSA-N
XLogP3.51
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 95592243
(2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 24627934
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90585697
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8802986
1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592234
(5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592245
N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 95592222
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971
[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 8502455
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 1157344
(5-methylpyrazin-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 94801465
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
CID 110828347

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone (CID 56800413) is (4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone is CCC(c1ccccc1)C1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone?
The InChIKey is UHYJRFLURFRWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-2-22(19-7-4-3-5-8-19)23-9-6-14-26(23)24(27)20-10-12-21(13-11-20)31(28,29)25-15-17-30-18-16-25/h3-5,7-8,10-13,22-23H,2,6,9,14-18H2,1H3.
What are the key properties of (4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone?
(4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone has a molecular weight of 442.58 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56800413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).