N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide

C17H19Cl2N3O2S — CID 9054891

IUPACN-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide
SMILESCN(CC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccsc1
InChIInChI=1S/C17H19Cl2N3O2S/c1-21(8-12-6-7-25-11-12)10-16(24)22(2)9-15(23)20-17-13(18)4-3-5-14(17)19/h3-7,11H,8-10H2,1-2H3,(H,20,23)
InChIKeyWYYWMXAGNIGYRQ-UHFFFAOYSA-N
MW400.33 g/mol
LogP3.58
Rot. Bonds7

About N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide

N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide (PubChem CID 9054891) has the molecular formula C17H19Cl2N3O2S and a molecular weight of 400.33 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide
PubChem CID9054891
Molecular FormulaC17H19Cl2N3O2S
Molecular Weight400.33 g/mol
Exact Mass399.06
IUPAC NameN-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide
SMILESCN(CC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccsc1
InChIInChI=1S/C17H19Cl2N3O2S/c1-21(8-12-6-7-25-11-12)10-16(24)22(2)9-15(23)20-17-13(18)4-3-5-14(17)19/h3-7,11H,8-10H2,1-2H3,(H,20,23)
InChIKeyWYYWMXAGNIGYRQ-UHFFFAOYSA-N
XLogP3.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 8965206
N-tert-butyl-2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 8767892
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]amino]acetamide
CID 26600333
1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62053567
N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054347
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide
CID 30492683
N-(2-chlorophenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 25479489
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 27807429
N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 27095557
N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054405
N-(5-chloro-2-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054913
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide (CID 9054891) is N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide is CN(CC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccsc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide?
The InChIKey is WYYWMXAGNIGYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2S/c1-21(8-12-6-7-25-11-12)10-16(24)22(2)9-15(23)20-17-13(18)4-3-5-14(17)19/h3-7,11H,8-10H2,1-2H3,(H,20,23).
What are the key properties of N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide?
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide has a molecular weight of 400.33 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide is sourced from PubChem (CID 9054891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).