(3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H25N3O6S — CID 51595823

IUPAC(3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C19H25N3O6S/c1-27-17-11-15(29(25,26)21-6-8-28-9-7-21)4-5-16(17)20-19(24)13-10-18(23)22(12-13)14-2-3-14/h4-5,11,13-14H,2-3,6-10,12H2,1H3,(H,20,24)/t13-/m1/s1
InChIKeyLCERDDYINNPLCX-CYBMUJFWSA-N
MW423.49 g/mol
LogP0.67
Rot. Bonds6

About (3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51595823) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51595823
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Name(3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C19H25N3O6S/c1-27-17-11-15(29(25,26)21-6-8-28-9-7-21)4-5-16(17)20-19(24)13-10-18(23)22(12-13)14-2-3-14/h4-5,11,13-14H,2-3,6-10,12H2,1H3,(H,20,24)/t13-/m1/s1
InChIKeyLCERDDYINNPLCX-CYBMUJFWSA-N
XLogP0.67
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55374635
1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55374603
(3R)-1-(2-methoxy-5-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41025725
(1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 8746747
N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567907
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168051
N-[3-(azepan-1-ylsulfonyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 55374582
1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 71944436
(3R)-1-cyclopentyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364595
N-(4-chloro-2,5-dimethoxyphenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185580
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 55605896
(3S)-1-cyclopropyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 26008131

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 51595823) is (3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)[C@@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LCERDDYINNPLCX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-27-17-11-15(29(25,26)21-6-8-28-9-7-21)4-5-16(17)20-19(24)13-10-18(23)22(12-13)14-2-3-14/h4-5,11,13-14H,2-3,6-10,12H2,1H3,(H,20,24)/t13-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51595823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).