N-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide

C21H20ClN3O2S — CID 55838850

IUPACN-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
SMILESCc1ncc(CN(C)CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)s1
InChIInChI=1S/C21H20ClN3O2S/c1-14-23-11-17(28-14)12-25(2)13-20(26)24-19-9-8-16(22)10-18(19)21(27)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,24,26)
InChIKeyIMFPMFMTUWOBLM-UHFFFAOYSA-N
MW413.93 g/mol
LogP4.41
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide

N-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide (PubChem CID 55838850) has the molecular formula C21H20ClN3O2S and a molecular weight of 413.93 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
PubChem CID55838850
Molecular FormulaC21H20ClN3O2S
Molecular Weight413.93 g/mol
Exact Mass413.10
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
SMILESCc1ncc(CN(C)CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)s1
InChIInChI=1S/C21H20ClN3O2S/c1-14-23-11-17(28-14)12-25(2)13-20(26)24-19-9-8-16(22)10-18(19)21(27)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,24,26)
InChIKeyIMFPMFMTUWOBLM-UHFFFAOYSA-N
XLogP4.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide
CID 88844912
N-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 51087238
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-(2-benzoyl-4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2110361
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
[5-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-phenylmethanone
CID 168580354
ethyl 5-chloro-2-[[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 55816359
N-(2-benzoyl-4-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45372617
N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide
CID 2101756
N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 30168164
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium
CID 5113102
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 1019246

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide (CID 55838850) is N-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide is Cc1ncc(CN(C)CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)s1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The InChIKey is IMFPMFMTUWOBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2S/c1-14-23-11-17(28-14)12-25(2)13-20(26)24-19-9-8-16(22)10-18(19)21(27)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide has a molecular weight of 413.93 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide is sourced from PubChem (CID 55838850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).