(3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide

C16H20N2O4S — CID 51982092

IUPAC(3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCS(=O)(=O)C2)ccc1N1CCCC1=O
InChIInChI=1S/C16H20N2O4S/c1-11-9-13(4-5-14(11)18-7-2-3-15(18)19)17-16(20)12-6-8-23(21,22)10-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyUQIJZIGTNKCQSF-LBPRGKRZSA-N
MW336.41 g/mol
LogP1.50
Rot. Bonds3

About (3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide

(3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 51982092) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is (3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID51982092
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name(3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCS(=O)(=O)C2)ccc1N1CCCC1=O
InChIInChI=1S/C16H20N2O4S/c1-11-9-13(4-5-14(11)18-7-2-3-15(18)19)17-16(20)12-6-8-23(21,22)10-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyUQIJZIGTNKCQSF-LBPRGKRZSA-N
XLogP1.50
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
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CID 60711549
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18289629
tert-butyl 3-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42932758
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 42153498
N-(3,4-dimethylphenyl)-1,1-dioxothiane-3-carboxamide
CID 110857386
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 131900696
N-cyclohexyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679262
N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584403
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 121054590

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide (CID 51982092) is (3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide is Cc1cc(NC(=O)[C@H]2CCS(=O)(=O)C2)ccc1N1CCCC1=O.
What is the InChIKey of (3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is UQIJZIGTNKCQSF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11-9-13(4-5-14(11)18-7-2-3-15(18)19)17-16(20)12-6-8-23(21,22)10-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide?
(3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 51982092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).