5-oxo-1-(1-phenylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonyl)pyrrolidine-3-carboxamide

C23H26N2O4S — CID 166332243

IUPAC5-oxo-1-(1-phenylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonyl)pyrrolidine-3-carboxamide
SMILESCC(c1ccccc1)N1CC(C(=O)NS(=O)(=O)C2CCCc3ccccc32)CC1=O
InChIInChI=1S/C23H26N2O4S/c1-16(17-8-3-2-4-9-17)25-15-19(14-22(25)26)23(27)24-30(28,29)21-13-7-11-18-10-5-6-12-20(18)21/h2-6,8-10,12,16,19,21H,7,11,13-15H2,1H3,(H,24,27)
InChIKeyDBRVAOPSBARPLQ-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.12
Rot. Bonds5

About 5-oxo-1-(1-phenylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonyl)pyrrolidine-3-carboxamide

5-oxo-1-(1-phenylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonyl)pyrrolidine-3-carboxamide (PubChem CID 166332243) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 5-oxo-1-(1-phenylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(1-phenylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonyl)pyrrolidine-3-carboxamide
PubChem CID166332243
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name5-oxo-1-(1-phenylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonyl)pyrrolidine-3-carboxamide
SMILESCC(c1ccccc1)N1CC(C(=O)NS(=O)(=O)C2CCCc3ccccc32)CC1=O
InChIInChI=1S/C23H26N2O4S/c1-16(17-8-3-2-4-9-17)25-15-19(14-22(25)26)23(27)24-30(28,29)21-13-7-11-18-10-5-6-12-20(18)21/h2-6,8-10,12,16,19,21H,7,11,13-15H2,1H3,(H,24,27)
InChIKeyDBRVAOPSBARPLQ-UHFFFAOYSA-N
XLogP3.12
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 166332182
(4R)-4-(cyclobutanecarbonyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 21087447
(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802
trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 124858174
N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 2964380
4-[[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 124690839
N-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 146129255
N-[2-(2-methylpropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540941
1-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 97185382
4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate
CID 9004705
(3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 124523029
N-(2-aminoethyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119381978

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1-phenylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(1-phenylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonyl)pyrrolidine-3-carboxamide (CID 166332243) is 5-oxo-1-(1-phenylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(1-phenylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(1-phenylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonyl)pyrrolidine-3-carboxamide is CC(c1ccccc1)N1CC(C(=O)NS(=O)(=O)C2CCCc3ccccc32)CC1=O.
What is the InChIKey of 5-oxo-1-(1-phenylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonyl)pyrrolidine-3-carboxamide?
The InChIKey is DBRVAOPSBARPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-16(17-8-3-2-4-9-17)25-15-19(14-22(25)26)23(27)24-30(28,29)21-13-7-11-18-10-5-6-12-20(18)21/h2-6,8-10,12,16,19,21H,7,11,13-15H2,1H3,(H,24,27).
What are the key properties of 5-oxo-1-(1-phenylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonyl)pyrrolidine-3-carboxamide?
5-oxo-1-(1-phenylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonyl)pyrrolidine-3-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1-phenylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 166332243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).