N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C20H18ClN3O2S — CID 51185034

IUPACN-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCC(NC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O2S/c1-13(15-8-5-9-16(21)10-15)22-18(25)11-17-12-27-20(23-17)24-19(26)14-6-3-2-4-7-14/h2-10,12-13H,11H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyYQHANMLGTGEPKN-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.47
Rot. Bonds6

About N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 51185034) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID51185034
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC NameN-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCC(NC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O2S/c1-13(15-8-5-9-16(21)10-15)22-18(25)11-17-12-27-20(23-17)24-19(26)14-6-3-2-4-7-14/h2-10,12-13H,11H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyYQHANMLGTGEPKN-UHFFFAOYSA-N
XLogP4.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 47097501
3,5-dimethoxy-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18568059
N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 3502903
N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40881647
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150
N-[1-(3-chlorophenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205987
2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 4047151
N-[4-[2-[1-(3-chlorophenyl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55761215
N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide
CID 46456770
4-chloro-N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41230136
4-chloro-N-[4-[2-oxo-2-(2-phenylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 41213333
N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 46468648

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 51185034) is N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is CC(NC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1cccc(Cl)c1.
What is the InChIKey of N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is YQHANMLGTGEPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-13(15-8-5-9-16(21)10-15)22-18(25)11-17-12-27-20(23-17)24-19(26)14-6-3-2-4-7-14/h2-10,12-13H,11H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 399.90 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 51185034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).