2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide

C18H18Cl2N4O2S — CID 27246805

IUPAC2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1sccc1C#N
InChIInChI=1S/C18H18Cl2N4O2S/c1-2-6-24(11-17(26)23-18-12(9-21)5-7-27-18)10-16(25)22-15-4-3-13(19)8-14(15)20/h3-5,7-8H,2,6,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyARCXMMRIJHORQA-UHFFFAOYSA-N
MW425.34 g/mol
LogP4.22
Rot. Bonds8

About 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide

2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide (PubChem CID 27246805) has the molecular formula C18H18Cl2N4O2S and a molecular weight of 425.34 g/mol. Its IUPAC name is 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
PubChem CID27246805
Molecular FormulaC18H18Cl2N4O2S
Molecular Weight425.34 g/mol
Exact Mass424.05
IUPAC Name2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1sccc1C#N
InChIInChI=1S/C18H18Cl2N4O2S/c1-2-6-24(11-17(26)23-18-12(9-21)5-7-27-18)10-16(25)22-15-4-3-13(19)8-14(15)20/h3-5,7-8H,2,6,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyARCXMMRIJHORQA-UHFFFAOYSA-N
XLogP4.22
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide with MolForge

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 2515449
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 25695340
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 4843226
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 2458719
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide
CID 9117765
N1-(5-chloro-2-cyanophenyl)-N2-(2-(dimethylamino)-2-(thiophen-2-yl)ethyl)oxalamide
CID 18589146
N-(2-chloro-4-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 18191654
N-(2,6-dichlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 24589294
[2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 2658673
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 2658674
2-[(2,4-dichlorophenyl)carbamoyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3622321
2-[(2,4-dichlorophenyl)carbamoyl-propylamino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3673071

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide (CID 27246805) is 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1sccc1C#N.
What is the InChIKey of 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is ARCXMMRIJHORQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2S/c1-2-6-24(11-17(26)23-18-12(9-21)5-7-27-18)10-16(25)22-15-4-3-13(19)8-14(15)20/h3-5,7-8H,2,6,10-11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide?
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 425.34 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 27246805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).