(2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone

C22H26N2O4S — CID 24627934

IUPAC(2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCC1Cc1ccccc1
InChIInChI=1S/C22H26N2O4S/c25-22(24-12-4-7-20(24)17-18-5-2-1-3-6-18)19-8-10-21(11-9-19)29(26,27)23-13-15-28-16-14-23/h1-3,5-6,8-11,20H,4,7,12-17H2
InChIKeyDYKYWZPCSIHJFA-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.55
Rot. Bonds5

About (2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone

(2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 24627934) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is (2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID24627934
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name(2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCC1Cc1ccccc1
InChIInChI=1S/C22H26N2O4S/c25-22(24-12-4-7-20(24)17-18-5-2-1-3-6-18)19-8-10-21(11-9-19)29(26,27)23-13-15-28-16-14-23/h1-3,5-6,8-11,20H,4,7,12-17H2
InChIKeyDYKYWZPCSIHJFA-UHFFFAOYSA-N
XLogP2.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90585697
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8802986
(2-benzyl-4-cyclopropylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90567166
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90585694
(4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 56800413
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 24627974
(2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone
CID 75402551
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
1,3-benzodioxol-5-yl-[(2S)-2-benzylpyrrolidin-1-yl]methanone
CID 32822886
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8803149

Frequently Asked Questions

What is the IUPAC name of (2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of (2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone (CID 24627934) is (2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for (2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for (2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone is O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCC1Cc1ccccc1.
What is the InChIKey of (2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is DYKYWZPCSIHJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c25-22(24-12-4-7-20(24)17-18-5-2-1-3-6-18)19-8-10-21(11-9-19)29(26,27)23-13-15-28-16-14-23/h1-3,5-6,8-11,20H,4,7,12-17H2.
What are the key properties of (2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
(2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 414.53 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 24627934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).