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

C19H19ClN2O5S — CID 2956558

IUPACN-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C19H19ClN2O5S/c1-12-3-6-14(7-4-12)28(25,26)22-16(8-10-18(22)23)19(24)21-13-5-9-17(27-2)15(20)11-13/h3-7,9,11,16H,8,10H2,1-2H3,(H,21,24)
InChIKeyADQDKKFZLYNTFC-UHFFFAOYSA-N
MW422.89 g/mol
LogP2.98
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 2956558) has the molecular formula C19H19ClN2O5S and a molecular weight of 422.89 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
PubChem CID2956558
Molecular FormulaC19H19ClN2O5S
Molecular Weight422.89 g/mol
Exact Mass422.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C19H19ClN2O5S/c1-12-3-6-14(7-4-12)28(25,26)22-16(8-10-18(22)23)19(24)21-13-5-9-17(27-2)15(20)11-13/h3-7,9,11,16H,8,10H2,1-2H3,(H,21,24)
InChIKeyADQDKKFZLYNTFC-UHFFFAOYSA-N
XLogP2.98
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide
CID 2898885
2-[Benzenesulfonyl-(4-methoxy-phenyl)-amino]-N-(3-chloro-2-methyl-phenyl)-acetamide
CID 1134581
(S)-1-[1-(Toluene-4-sulfonyl)-piperidine-4-carbonyl]-pyrrolidine-2-carboxylic acid (4-butoxy-phenyl)-amide
CID 9550037
4-[3-(3-Chloro-4-methoxy-phenyl)-2-oxo-2,3-dihydro-oxazol-4-yl]-benzenesulfonamide
CID 10833677
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1022050
2-[Benzenesulfonyl-(3-chloro-4-methoxy-phenyl)-amino]-N-(4-methoxy-phenyl)-acetamide
CID 1108099
N-(3-chloro-4-methoxyphenyl)-N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 1331482
N~1~-(3-chloro-4-methoxyphenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2193164
N-(3-chloro-4-methoxyphenyl)-2-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}acetamide
CID 2264774
N~1~-{2-[(4-chlorobenzyl)thio]ethyl}-N~2~-(3-chloro-4-methoxyphenyl)-N~2~-(methylsulfonyl)glycinamide
CID 2279758
N-bicyclo[2.2.1]hept-2-yl-N~2~-(3-chloro-4-methoxyphenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2899804
N-(4-methoxyphenyl)-1-tosylpyrrolidine-2-carboxamide
CID 2937052

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide (CID 2956558) is N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ADQDKKFZLYNTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5S/c1-12-3-6-14(7-4-12)28(25,26)22-16(8-10-18(22)23)19(24)21-13-5-9-17(27-2)15(20)11-13/h3-7,9,11,16H,8,10H2,1-2H3,(H,21,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 422.89 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 2956558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).