N-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C22H20ClN3O3S — CID 46409475

IUPACN-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C22H20ClN3O3S/c23-19-7-2-1-4-15(19)10-18-12-24-22(30-18)26-20(27)13-29-17-6-3-5-16(11-17)25-21(28)14-8-9-14/h1-7,11-12,14H,8-10,13H2,(H,25,28)(H,24,26,27)
InChIKeyGTSPTTCAHYCIJZ-UHFFFAOYSA-N
MW441.94 g/mol
LogP4.75
Rot. Bonds8

About N-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 46409475) has the molecular formula C22H20ClN3O3S and a molecular weight of 441.94 g/mol. Its IUPAC name is N-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID46409475
Molecular FormulaC22H20ClN3O3S
Molecular Weight441.94 g/mol
Exact Mass441.09
IUPAC NameN-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C22H20ClN3O3S/c23-19-7-2-1-4-15(19)10-18-12-24-22(30-18)26-20(27)13-29-17-6-3-5-16(11-17)25-21(28)14-8-9-14/h1-7,11-12,14H,8-10,13H2,(H,25,28)(H,24,26,27)
InChIKeyGTSPTTCAHYCIJZ-UHFFFAOYSA-N
XLogP4.75
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide
CID 23939959
2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 18836122
N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55688843
2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 1371006
3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 36782312
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 35955297
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
N-[3-[2-oxo-2-[[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55986525
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoacetamide
CID 2068778
N-[3-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55677177
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 18836184

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 46409475) is N-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is O=C(COc1cccc(NC(=O)C2CC2)c1)Nc1ncc(Cc2ccccc2Cl)s1.
What is the InChIKey of N-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is GTSPTTCAHYCIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3S/c23-19-7-2-1-4-15(19)10-18-12-24-22(30-18)26-20(27)13-29-17-6-3-5-16(11-17)25-21(28)14-8-9-14/h1-7,11-12,14H,8-10,13H2,(H,25,28)(H,24,26,27).
What are the key properties of N-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 441.94 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46409475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).