2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide

C23H23Cl2N5O4S — CID 4065799

IUPAC2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
SMILESCOCCN(CC(=O)Nc1nc(CC(=O)NCc2ccncc2)cs1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H23Cl2N5O4S/c1-34-9-8-30(22(33)18-3-2-16(24)10-19(18)25)13-21(32)29-23-28-17(14-35-23)11-20(31)27-12-15-4-6-26-7-5-15/h2-7,10,14H,8-9,11-13H2,1H3,(H,27,31)(H,28,29,32)
InChIKeyNTWOYVSBBFWBAC-UHFFFAOYSA-N
MW536.44 g/mol
LogP3.43
Rot. Bonds11

About 2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide

2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide (PubChem CID 4065799) has the molecular formula C23H23Cl2N5O4S and a molecular weight of 536.44 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
PubChem CID4065799
Molecular FormulaC23H23Cl2N5O4S
Molecular Weight536.44 g/mol
Exact Mass535.08
IUPAC Name2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
SMILESCOCCN(CC(=O)Nc1nc(CC(=O)NCc2ccncc2)cs1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H23Cl2N5O4S/c1-34-9-8-30(22(33)18-3-2-16(24)10-19(18)25)13-21(32)29-23-28-17(14-35-23)11-20(31)27-12-15-4-6-26-7-5-15/h2-7,10,14H,8-9,11-13H2,1H3,(H,27,31)(H,28,29,32)
InChIKeyNTWOYVSBBFWBAC-UHFFFAOYSA-N
XLogP3.43
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide 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 2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide (CID 4065799) is 2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide is COCCN(CC(=O)Nc1nc(CC(=O)NCc2ccncc2)cs1)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The InChIKey is NTWOYVSBBFWBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O4S/c1-34-9-8-30(22(33)18-3-2-16(24)10-19(18)25)13-21(32)29-23-28-17(14-35-23)11-20(31)27-12-15-4-6-26-7-5-15/h2-7,10,14H,8-9,11-13H2,1H3,(H,27,31)(H,28,29,32).
What are the key properties of 2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?
2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide has a molecular weight of 536.44 g/mol, XLogP of 3.43, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 4065799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).