1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H21ClN2O5S — CID 55692250

IUPAC1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1=O
InChIInChI=1S/C20H21ClN2O5S/c1-28-18-8-5-15(21)10-17(18)23-12-14(9-19(23)24)20(25)22-11-13-3-6-16(7-4-13)29(2,26)27/h3-8,10,14H,9,11-12H2,1-2H3,(H,22,25)
InChIKeyWDUZSZNMIAHLCN-UHFFFAOYSA-N
MW436.92 g/mol
LogP2.42
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55692250) has the molecular formula C20H21ClN2O5S and a molecular weight of 436.92 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55692250
Molecular FormulaC20H21ClN2O5S
Molecular Weight436.92 g/mol
Exact Mass436.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1=O
InChIInChI=1S/C20H21ClN2O5S/c1-28-18-8-5-15(21)10-17(18)23-12-14(9-19(23)24)20(25)22-11-13-3-6-16(7-4-13)29(2,26)27/h3-8,10,14H,9,11-12H2,1-2H3,(H,22,25)
InChIKeyWDUZSZNMIAHLCN-UHFFFAOYSA-N
XLogP2.42
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55334367
(3R)-1-(2-methoxy-5-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9455442
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17191897
(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 9489350
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187460
4-[[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 108788320
1-(2-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 24624597
1-(5-chloro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187572
1-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51149994
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 56558466
1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 24624650
1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55611103

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 55692250) is 1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(Cl)cc1N1CC(C(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WDUZSZNMIAHLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5S/c1-28-18-8-5-15(21)10-17(18)23-12-14(9-19(23)24)20(25)22-11-13-3-6-16(7-4-13)29(2,26)27/h3-8,10,14H,9,11-12H2,1-2H3,(H,22,25).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 436.92 g/mol, XLogP of 2.42, 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-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55692250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).