2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid

C25H29N3O6S — CID 19968213

IUPAC2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid
SMILESCC(C)(C)OC(=O)C1CSC(c2ccccc2)N1C(=O)CNC(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C25H29N3O6S/c1-25(2,3)34-23(32)19-15-35-22(17-9-5-4-6-10-17)28(19)20(29)14-26-24(33)27-18-11-7-8-16(12-18)13-21(30)31/h4-12,19,22H,13-15H2,1-3H3,(H,30,31)(H2,26,27,33)
InChIKeyGFWKDHOBERNTEA-UHFFFAOYSA-N
MW499.59 g/mol
LogP3.42
Rot. Bonds7

About 2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid

2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid (PubChem CID 19968213) has the molecular formula C25H29N3O6S and a molecular weight of 499.59 g/mol. Its IUPAC name is 2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid
PubChem CID19968213
Molecular FormulaC25H29N3O6S
Molecular Weight499.59 g/mol
Exact Mass499.18
IUPAC Name2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid
SMILESCC(C)(C)OC(=O)C1CSC(c2ccccc2)N1C(=O)CNC(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C25H29N3O6S/c1-25(2,3)34-23(32)19-15-35-22(17-9-5-4-6-10-17)28(19)20(29)14-26-24(33)27-18-11-7-8-16(12-18)13-21(30)31/h4-12,19,22H,13-15H2,1-3H3,(H,30,31)(H2,26,27,33)
InChIKeyGFWKDHOBERNTEA-UHFFFAOYSA-N
XLogP3.42
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic 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 2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid (CID 19968213) is 2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid is CC(C)(C)OC(=O)C1CSC(c2ccccc2)N1C(=O)CNC(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid?
The InChIKey is GFWKDHOBERNTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6S/c1-25(2,3)34-23(32)19-15-35-22(17-9-5-4-6-10-17)28(19)20(29)14-26-24(33)27-18-11-7-8-16(12-18)13-21(30)31/h4-12,19,22H,13-15H2,1-3H3,(H,30,31)(H2,26,27,33).
What are the key properties of 2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid?
2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid has a molecular weight of 499.59 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 19968213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).