4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-(2-phenylethyl)benzenesulfonamide

C20H24N2O4S — CID 1314518

IUPAC4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-(2-phenylethyl)benzenesulfonamide
SMILESO=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C20H24N2O4S/c23-20(22-14-4-5-15-22)16-26-18-8-10-19(11-9-18)27(24,25)21-13-12-17-6-2-1-3-7-17/h1-3,6-11,21H,4-5,12-16H2
InChIKeyFUBYWYMUNNOOGE-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.21
Rot. Bonds8

About 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-(2-phenylethyl)benzenesulfonamide

4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 1314518) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-(2-phenylethyl)benzenesulfonamide
PubChem CID1314518
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-(2-phenylethyl)benzenesulfonamide
SMILESO=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C20H24N2O4S/c23-20(22-14-4-5-15-22)16-26-18-8-10-19(11-9-18)27(24,25)21-13-12-17-6-2-1-3-7-17/h1-3,6-11,21H,4-5,12-16H2
InChIKeyFUBYWYMUNNOOGE-UHFFFAOYSA-N
XLogP2.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-[(3S)-3-benzyl-5-oxo-morpholin-4-yl]-2-hydroxy-propyl]-N-(cyclopentylmethyl)-4-methoxy-benzenesulfonamide
CID 474323
Benzenesulfonamide, N-[(2S)-3-[(2R,5S)-2-(2-aminoethyl)-3-oxo-5-(phenylmethyl)-4-morpholinyl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxy-
CID 16074387
Sms1-IN-1
CID 91938094
N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082957
N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082958
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
2-(4-Piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 6459962
2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 4845318
Benzenesulfonamide, N-[(2S)-3-[(2R,5S)-2-(3-aminopropyl)-3-oxo-5-(phenylmethyl)-4-morpholinyl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxy-
CID 16074389
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopentylacetamide
CID 1005556
N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1008028
N-[2-(4-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1084089

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-(2-phenylethyl)benzenesulfonamide (CID 1314518) is 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-(2-phenylethyl)benzenesulfonamide is O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCCC1.
What is the InChIKey of 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is FUBYWYMUNNOOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c23-20(22-14-4-5-15-22)16-26-18-8-10-19(11-9-18)27(24,25)21-13-12-17-6-2-1-3-7-17/h1-3,6-11,21H,4-5,12-16H2.
What are the key properties of 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-(2-phenylethyl)benzenesulfonamide?
4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 1314518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).