1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide

C17H23N3O5S — CID 74235590

IUPAC1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCCC1)C1CC(=O)N(c2cccc(O)c2)C1
InChIInChI=1S/C17H23N3O5S/c21-15-5-3-4-14(11-15)20-12-13(10-16(20)22)17(23)18-6-9-26(24,25)19-7-1-2-8-19/h3-5,11,13,21H,1-2,6-10,12H2,(H,18,23)
InChIKeyCBZFMVPXYMAXDZ-UHFFFAOYSA-N
MW381.45 g/mol
LogP0.29
Rot. Bonds6

About 1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide

1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide (PubChem CID 74235590) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide
PubChem CID74235590
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC Name1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCCC1)C1CC(=O)N(c2cccc(O)c2)C1
InChIInChI=1S/C17H23N3O5S/c21-15-5-3-4-14(11-15)20-12-13(10-16(20)22)17(23)18-6-9-26(24,25)19-7-1-2-8-19/h3-5,11,13,21H,1-2,6-10,12H2,(H,18,23)
InChIKeyCBZFMVPXYMAXDZ-UHFFFAOYSA-N
XLogP0.29
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide
CID 40775783
(3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41234149
1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
CID 44961318
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16881129
(3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40775758
(3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6945519
(3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 51933605
N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42651861
1-(3-bromophenyl)-N-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxamide
CID 119037342
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 60545522
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 84503378

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide (CID 74235590) is 1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide is O=C(NCCS(=O)(=O)N1CCCC1)C1CC(=O)N(c2cccc(O)c2)C1.
What is the InChIKey of 1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide?
The InChIKey is CBZFMVPXYMAXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c21-15-5-3-4-14(11-15)20-12-13(10-16(20)22)17(23)18-6-9-26(24,25)19-7-1-2-8-19/h3-5,11,13,21H,1-2,6-10,12H2,(H,18,23).
What are the key properties of 1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide?
1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 74235590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).