N-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide

C20H21ClN4O2S — CID 8815657

IUPACN-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
SMILESCc1cc(C(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)c(C)n1-c1nccs1
InChIInChI=1S/C20H21ClN4O2S/c1-13-10-17(14(2)25(13)20-22-8-9-28-20)18(26)11-24(3)12-19(27)23-16-6-4-15(21)5-7-16/h4-10H,11-12H2,1-3H3,(H,23,27)
InChIKeyISHHSXYCVFJRGD-UHFFFAOYSA-N
MW416.93 g/mol
LogP3.96
Rot. Bonds7

About N-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide

N-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8815657) has the molecular formula C20H21ClN4O2S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
PubChem CID8815657
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.93 g/mol
Exact Mass416.11
IUPAC NameN-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
SMILESCc1cc(C(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)c(C)n1-c1nccs1
InChIInChI=1S/C20H21ClN4O2S/c1-13-10-17(14(2)25(13)20-22-8-9-28-20)18(26)11-24(3)12-19(27)23-16-6-4-15(21)5-7-16/h4-10H,11-12H2,1-3H3,(H,23,27)
InChIKeyISHHSXYCVFJRGD-UHFFFAOYSA-N
XLogP3.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide 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-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide
CID 8551600
2-[(E)-(4-chlorophenyl)methylideneamino]oxy-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]ethanone
CID 24607898
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 87019841
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78894067
1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-ethylsulfanylethanone
CID 75416296
N-ethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78886012
N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78881613
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78900621
2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8785485
1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-(3-iodophenoxy)ethanone
CID 24607270
2,5-dimethyl-1-(1,3-thiazol-2-yl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrole-3-carboxamide
CID 112841068
ethyl N-[3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethoxy]phenyl]carbamate
CID 30212283

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide (CID 8815657) is N-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide is Cc1cc(C(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)c(C)n1-c1nccs1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is ISHHSXYCVFJRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S/c1-13-10-17(14(2)25(13)20-22-8-9-28-20)18(26)11-24(3)12-19(27)23-16-6-4-15(21)5-7-16/h4-10H,11-12H2,1-3H3,(H,23,27).
What are the key properties of N-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide?
N-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 416.93 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8815657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).