N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide

C17H18Cl2N4O3S — CID 55432120

IUPACN-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide
SMILESCN(CC(=O)NC(=O)NCc1cccs1)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H18Cl2N4O3S/c1-23(9-14(24)21-16-12(18)5-2-6-13(16)19)10-15(25)22-17(26)20-8-11-4-3-7-27-11/h2-7H,8-10H2,1H3,(H,21,24)(H2,20,22,25,26)
InChIKeyFGTWCNFMYIINSC-UHFFFAOYSA-N
MW429.33 g/mol
LogP2.95
Rot. Bonds7

About N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide

N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide (PubChem CID 55432120) has the molecular formula C17H18Cl2N4O3S and a molecular weight of 429.33 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide
PubChem CID55432120
Molecular FormulaC17H18Cl2N4O3S
Molecular Weight429.33 g/mol
Exact Mass428.05
IUPAC NameN-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide
SMILESCN(CC(=O)NC(=O)NCc1cccs1)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H18Cl2N4O3S/c1-23(9-14(24)21-16-12(18)5-2-6-13(16)19)10-15(25)22-17(26)20-8-11-4-3-7-27-11/h2-7H,8-10H2,1H3,(H,21,24)(H2,20,22,25,26)
InChIKeyFGTWCNFMYIINSC-UHFFFAOYSA-N
XLogP2.95
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide with MolForge

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Related Compounds

2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40761111
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40741355
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24682256
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 8965206
2-(dipropylamino)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 34600944
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 37422554
N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287193
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 26387450
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9460688
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40760677
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2,3-dichlorobenzoate
CID 27213023

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide (CID 55432120) is N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide is CN(CC(=O)NC(=O)NCc1cccs1)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide?
The InChIKey is FGTWCNFMYIINSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O3S/c1-23(9-14(24)21-16-12(18)5-2-6-13(16)19)10-15(25)22-17(26)20-8-11-4-3-7-27-11/h2-7H,8-10H2,1H3,(H,21,24)(H2,20,22,25,26).
What are the key properties of N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide?
N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide has a molecular weight of 429.33 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide is sourced from PubChem (CID 55432120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).