(3R)-1-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid

C25H23N3O4S2 — CID 118952733

IUPAC(3R)-1-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
SMILESCc1nc(-c2ccccc2)sc1S(=O)(=O)Nc1ccc(N2CC[C@@H](C(=O)O)C2)c2ccccc12
InChIInChI=1S/C25H23N3O4S2/c1-16-25(33-23(26-16)17-7-3-2-4-8-17)34(31,32)27-21-11-12-22(20-10-6-5-9-19(20)21)28-14-13-18(15-28)24(29)30/h2-12,18,27H,13-15H2,1H3,(H,29,30)/t18-/m1/s1
InChIKeyPZGAKCOMOVQSTD-GOSISDBHSA-N
MW493.61 g/mol
LogP4.98
Rot. Bonds6

About (3R)-1-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid

(3R)-1-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid (PubChem CID 118952733) has the molecular formula C25H23N3O4S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is (3R)-1-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
PubChem CID118952733
Molecular FormulaC25H23N3O4S2
Molecular Weight493.61 g/mol
Exact Mass493.11
IUPAC Name(3R)-1-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
SMILESCc1nc(-c2ccccc2)sc1S(=O)(=O)Nc1ccc(N2CC[C@@H](C(=O)O)C2)c2ccccc12
InChIInChI=1S/C25H23N3O4S2/c1-16-25(33-23(26-16)17-7-3-2-4-8-17)34(31,32)27-21-11-12-22(20-10-6-5-9-19(20)21)28-14-13-18(15-28)24(29)30/h2-12,18,27H,13-15H2,1H3,(H,29,30)/t18-/m1/s1
InChIKeyPZGAKCOMOVQSTD-GOSISDBHSA-N
XLogP4.98
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid (CID 118952733) is (3R)-1-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid is Cc1nc(-c2ccccc2)sc1S(=O)(=O)Nc1ccc(N2CC[C@@H](C(=O)O)C2)c2ccccc12.
What is the InChIKey of (3R)-1-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is PZGAKCOMOVQSTD-GOSISDBHSA-N. The full InChI is InChI=1S/C25H23N3O4S2/c1-16-25(33-23(26-16)17-7-3-2-4-8-17)34(31,32)27-21-11-12-22(20-10-6-5-9-19(20)21)28-14-13-18(15-28)24(29)30/h2-12,18,27H,13-15H2,1H3,(H,29,30)/t18-/m1/s1.
What are the key properties of (3R)-1-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid?
(3R)-1-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 493.61 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 118952733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).