2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide

C25H19Cl2N3O2S — CID 108762330

IUPAC2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C25H19Cl2N3O2S/c26-19-10-11-20(21(27)12-19)24(32)29-14-23(31)28-13-16-6-8-18(9-7-16)25-30-22(15-33-25)17-4-2-1-3-5-17/h1-12,15H,13-14H2,(H,28,31)(H,29,32)
InChIKeyBYSLXXCYXBBGGU-UHFFFAOYSA-N
MW496.42 g/mol
LogP5.83
Rot. Bonds7

About 2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide

2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide (PubChem CID 108762330) has the molecular formula C25H19Cl2N3O2S and a molecular weight of 496.42 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide
PubChem CID108762330
Molecular FormulaC25H19Cl2N3O2S
Molecular Weight496.42 g/mol
Exact Mass495.06
IUPAC Name2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C25H19Cl2N3O2S/c26-19-10-11-20(21(27)12-19)24(32)29-14-23(31)28-13-16-6-8-18(9-7-16)25-30-22(15-33-25)17-4-2-1-3-5-17/h1-12,15H,13-14H2,(H,28,31)(H,29,32)
InChIKeyBYSLXXCYXBBGGU-UHFFFAOYSA-N
XLogP5.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.42
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide
CID 108771045
2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108739729
2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 23796735
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
CID 4796634
3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108802336
methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate
CID 108739699
2,4-dichloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 108725447
N-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 87050229
2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774048
2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108749589

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide (CID 108762330) is 2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is BYSLXXCYXBBGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N3O2S/c26-19-10-11-20(21(27)12-19)24(32)29-14-23(31)28-13-16-6-8-18(9-7-16)25-30-22(15-33-25)17-4-2-1-3-5-17/h1-12,15H,13-14H2,(H,28,31)(H,29,32).
What are the key properties of 2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide?
2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 496.42 g/mol, XLogP of 5.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 108762330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).