1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H25ClN2O5S — CID 55611103

IUPAC1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)CC1=O
InChIInChI=1S/C23H25ClN2O5S/c1-31-21-11-6-16(24)13-20(21)26-14-15(12-22(26)27)23(28)25-17-7-9-19(10-8-17)32(29,30)18-4-2-3-5-18/h6-11,13,15,18H,2-5,12,14H2,1H3,(H,25,28)
InChIKeyMVBWBVFSHRYVCT-UHFFFAOYSA-N
MW476.98 g/mol
LogP4.06
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55611103) has the molecular formula C23H25ClN2O5S and a molecular weight of 476.98 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55611103
Molecular FormulaC23H25ClN2O5S
Molecular Weight476.98 g/mol
Exact Mass476.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)CC1=O
InChIInChI=1S/C23H25ClN2O5S/c1-31-21-11-6-16(24)13-20(21)26-14-15(12-22(26)27)23(28)25-17-7-9-19(10-8-17)32(29,30)18-4-2-3-5-18/h6-11,13,15,18H,2-5,12,14H2,1H3,(H,25,28)
InChIKeyMVBWBVFSHRYVCT-UHFFFAOYSA-N
XLogP4.06
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.98
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 17498458
S-[4-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529741
(3S)-N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351333
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 8702152
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 55483902
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 41025656
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
(3S)-1-(2-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 2118403
(3S)-N-(4-chlorophenyl)-1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056567
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide
CID 42651327
1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55692250

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55611103) is 1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(Cl)cc1N1CC(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)CC1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MVBWBVFSHRYVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O5S/c1-31-21-11-6-16(24)13-20(21)26-14-15(12-22(26)27)23(28)25-17-7-9-19(10-8-17)32(29,30)18-4-2-3-5-18/h6-11,13,15,18H,2-5,12,14H2,1H3,(H,25,28).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 476.98 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55611103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).