1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid

C23H24N2O5S — CID 118963943

IUPAC1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
SMILESCOc1cc(C)ccc1S(=O)(=O)Nc1ccc(N2CCC(C(=O)O)C2)c2ccccc12
InChIInChI=1S/C23H24N2O5S/c1-15-7-10-22(21(13-15)30-2)31(28,29)24-19-8-9-20(18-6-4-3-5-17(18)19)25-12-11-16(14-25)23(26)27/h3-10,13,16,24H,11-12,14H2,1-2H3,(H,26,27)
InChIKeyFHDBXLLVSHCICZ-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.87
Rot. Bonds6

About 1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid

1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid (PubChem CID 118963943) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
PubChem CID118963943
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
SMILESCOc1cc(C)ccc1S(=O)(=O)Nc1ccc(N2CCC(C(=O)O)C2)c2ccccc12
InChIInChI=1S/C23H24N2O5S/c1-15-7-10-22(21(13-15)30-2)31(28,29)24-19-8-9-20(18-6-4-3-5-17(18)19)25-12-11-16(14-25)23(26)27/h3-10,13,16,24H,11-12,14H2,1-2H3,(H,26,27)
InChIKeyFHDBXLLVSHCICZ-UHFFFAOYSA-N
XLogP3.87
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 118952754
(3R)-1-[4-[(1,2-dimethylindol-3-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 118952713
(3S)-1-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 118952780
(3S)-1-[4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 118952778
3-[(2,4-dimethylphenyl)sulfonylamino]-4-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 46291928
[3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68798684
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
3-methoxy-4-[[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]sulfamoyl]benzoic acid
CID 166272383
1-(2-cyano-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 107926648
(3R)-1-[5-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid
CID 118952784
2-methoxy-5-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640333
1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 39730617

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid (CID 118963943) is 1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid is COc1cc(C)ccc1S(=O)(=O)Nc1ccc(N2CCC(C(=O)O)C2)c2ccccc12.
What is the InChIKey of 1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is FHDBXLLVSHCICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-15-7-10-22(21(13-15)30-2)31(28,29)24-19-8-9-20(18-6-4-3-5-17(18)19)25-12-11-16(14-25)23(26)27/h3-10,13,16,24H,11-12,14H2,1-2H3,(H,26,27).
What are the key properties of 1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid?
1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 440.52 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 118963943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).