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

C25H25N3O4S — CID 118952713

IUPAC(3R)-1-[4-[(1,2-dimethylindol-3-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
SMILESCc1c(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ccccc23)c2ccccc2n1C
InChIInChI=1S/C25H25N3O4S/c1-16-24(20-9-5-6-10-22(20)27(16)2)33(31,32)26-21-11-12-23(19-8-4-3-7-18(19)21)28-14-13-17(15-28)25(29)30/h3-12,17,26H,13-15H2,1-2H3,(H,29,30)/t17-/m1/s1
InChIKeyIJBWRYPTXCXUOJ-QGZVFWFLSA-N
MW463.56 g/mol
LogP4.35
Rot. Bonds5

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

(3R)-1-[4-[(1,2-dimethylindol-3-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid (PubChem CID 118952713) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is (3R)-1-[4-[(1,2-dimethylindol-3-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[4-[(1,2-dimethylindol-3-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
PubChem CID118952713
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name(3R)-1-[4-[(1,2-dimethylindol-3-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
SMILESCc1c(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ccccc23)c2ccccc2n1C
InChIInChI=1S/C25H25N3O4S/c1-16-24(20-9-5-6-10-22(20)27(16)2)33(31,32)26-21-11-12-23(19-8-4-3-7-18(19)21)28-14-13-17(15-28)25(29)30/h3-12,17,26H,13-15H2,1-2H3,(H,29,30)/t17-/m1/s1
InChIKeyIJBWRYPTXCXUOJ-QGZVFWFLSA-N
XLogP4.35
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[4-[(1,2-dimethylindol-3-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 118952780
1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 118963943
(3R)-1-[4-[(2,4-dimethoxyphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 118952754
1-(1,2-dimethylindol-3-yl)sulfonylpiperidine-3-carboxylic acid
CID 122070303
(3S)-1-[4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 118952778
(3R)-1-[5-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid
CID 118952784
ethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate
CID 118963928
2-(1,2-dimethylindol-3-yl)sulfonylacetic acid
CID 82487302
(3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine
CID 120999176
(2R)-2-[(1,2-dimethylindol-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 122069299
N-[(2R,3S)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-1,2-dimethylindole-3-sulfonamide
CID 166308959
1-[4-(methylsulfamoyl)-2-nitrophenyl]pyrrolidine-3-carboxylic acid
CID 120964052

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[(1,2-dimethylindol-3-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[4-[(1,2-dimethylindol-3-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid (CID 118952713) is (3R)-1-[4-[(1,2-dimethylindol-3-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[4-[(1,2-dimethylindol-3-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[4-[(1,2-dimethylindol-3-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid is Cc1c(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ccccc23)c2ccccc2n1C.
What is the InChIKey of (3R)-1-[4-[(1,2-dimethylindol-3-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is IJBWRYPTXCXUOJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-16-24(20-9-5-6-10-22(20)27(16)2)33(31,32)26-21-11-12-23(19-8-4-3-7-18(19)21)28-14-13-17(15-28)25(29)30/h3-12,17,26H,13-15H2,1-2H3,(H,29,30)/t17-/m1/s1.
What are the key properties of (3R)-1-[4-[(1,2-dimethylindol-3-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid?
(3R)-1-[4-[(1,2-dimethylindol-3-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 463.56 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[(1,2-dimethylindol-3-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 118952713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).