(3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid

C23H24N2O6S — CID 118952754

IUPAC(3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ccccc23)c(OC)c1
InChIInChI=1S/C23H24N2O6S/c1-30-16-7-10-22(21(13-16)31-2)32(28,29)24-19-8-9-20(18-6-4-3-5-17(18)19)25-12-11-15(14-25)23(26)27/h3-10,13,15,24H,11-12,14H2,1-2H3,(H,26,27)/t15-/m1/s1
InChIKeyLFBCDWRWJXXQEJ-OAHLLOKOSA-N
MW456.52 g/mol
LogP3.57
Rot. Bonds7

About (3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid

(3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid (PubChem CID 118952754) has the molecular formula C23H24N2O6S and a molecular weight of 456.52 g/mol. Its IUPAC name is (3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
PubChem CID118952754
Molecular FormulaC23H24N2O6S
Molecular Weight456.52 g/mol
Exact Mass456.14
IUPAC Name(3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ccccc23)c(OC)c1
InChIInChI=1S/C23H24N2O6S/c1-30-16-7-10-22(21(13-16)31-2)32(28,29)24-19-8-9-20(18-6-4-3-5-17(18)19)25-12-11-15(14-25)23(26)27/h3-10,13,15,24H,11-12,14H2,1-2H3,(H,26,27)/t15-/m1/s1
InChIKeyLFBCDWRWJXXQEJ-OAHLLOKOSA-N
XLogP3.57
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 118963943
(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
(3S)-1-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875723
3-[(2,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 45330107
(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875717
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
3-methoxy-4-[[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]sulfamoyl]benzoic acid
CID 166272383
2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 28590092
2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-(4-ethoxycarbonylpiperidin-1-yl)benzoic acid
CID 46325310
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 7938855

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid (CID 118952754) is (3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid is COc1ccc(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ccccc23)c(OC)c1.
What is the InChIKey of (3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is LFBCDWRWJXXQEJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24N2O6S/c1-30-16-7-10-22(21(13-16)31-2)32(28,29)24-19-8-9-20(18-6-4-3-5-17(18)19)25-12-11-15(14-25)23(26)27/h3-10,13,15,24H,11-12,14H2,1-2H3,(H,26,27)/t15-/m1/s1.
What are the key properties of (3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid?
(3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 456.52 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 118952754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).