2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(4-ethoxyphenyl)benzamide

C20H21ClN2O2S — CID 2375058

IUPAC2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(N(C(=O)c2ccccc2Cl)C2=NC(C)(C)CS2)cc1
InChIInChI=1S/C20H21ClN2O2S/c1-4-25-15-11-9-14(10-12-15)23(19-22-20(2,3)13-26-19)18(24)16-7-5-6-8-17(16)21/h5-12H,4,13H2,1-3H3
InChIKeyGEYIXYNLWMZWSE-UHFFFAOYSA-N
MW388.92 g/mol
LogP5.27
Rot. Bonds4

About 2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(4-ethoxyphenyl)benzamide

2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(4-ethoxyphenyl)benzamide (PubChem CID 2375058) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is 2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(4-ethoxyphenyl)benzamide
PubChem CID2375058
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(N(C(=O)c2ccccc2Cl)C2=NC(C)(C)CS2)cc1
InChIInChI=1S/C20H21ClN2O2S/c1-4-25-15-11-9-14(10-12-15)23(19-22-20(2,3)13-26-19)18(24)16-7-5-6-8-17(16)21/h5-12H,4,13H2,1-3H3
InChIKeyGEYIXYNLWMZWSE-UHFFFAOYSA-N
XLogP5.27
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.92
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-N-(4-ethoxyphenyl)-5-(methylthio)benzamide
CID 603984
3-(3-Chloro-4-methoxyphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 3450226
2-chloro-N-[4-[(5-oxo-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
CID 16009408
6-Chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 134155256
N-(4-chlorophenyl)-2-methoxy-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 24237531
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
CID 1772251
2-chloro-5-(methylthio)-N-[4-(pentyloxy)phenyl]benzamide
CID 2227910
2-[(4-Methoxyphenylamino)carbonylmethylthio]-6-(2,6-dichlorobenzyl)-5-methylpyrimidin-4(3H)-one
CID 135871315
4-chloro-N-(4-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide
CID 16009404
3-Chloro-N-(4-{[5-oxo-2-(pentan-3-YL)-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL]methoxy}phenyl)benzamide
CID 16009426
2-Fluoro-N-[4-({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methoxy)phenyl]benzamide
CID 16009520
2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-ethoxyphenyl)benzamide
CID 2357209

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(4-ethoxyphenyl)benzamide (CID 2375058) is 2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(N(C(=O)c2ccccc2Cl)C2=NC(C)(C)CS2)cc1.
What is the InChIKey of 2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(4-ethoxyphenyl)benzamide?
The InChIKey is GEYIXYNLWMZWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-4-25-15-11-9-14(10-12-15)23(19-22-20(2,3)13-26-19)18(24)16-7-5-6-8-17(16)21/h5-12H,4,13H2,1-3H3.
What are the key properties of 2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(4-ethoxyphenyl)benzamide?
2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(4-ethoxyphenyl)benzamide has a molecular weight of 388.92 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 2375058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).