2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide

C19H23ClN4O4S — CID 55919274

IUPAC2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NCC(=O)NC(=O)NCCc2cccs2)cc1Cl
InChIInChI=1S/C19H23ClN4O4S/c1-28-9-8-21-18(26)15-5-4-13(11-16(15)20)23-12-17(25)24-19(27)22-7-6-14-3-2-10-29-14/h2-5,10-11,23H,6-9,12H2,1H3,(H,21,26)(H2,22,24,25,27)
InChIKeyCZMXNGMGNVUHOW-UHFFFAOYSA-N
MW438.94 g/mol
LogP2.26
Rot. Bonds10

About 2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide

2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide (PubChem CID 55919274) has the molecular formula C19H23ClN4O4S and a molecular weight of 438.94 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide
PubChem CID55919274
Molecular FormulaC19H23ClN4O4S
Molecular Weight438.94 g/mol
Exact Mass438.11
IUPAC Name2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NCC(=O)NC(=O)NCCc2cccs2)cc1Cl
InChIInChI=1S/C19H23ClN4O4S/c1-28-9-8-21-18(26)15-5-4-13(11-16(15)20)23-12-17(25)24-19(27)22-7-6-14-3-2-10-29-14/h2-5,10-11,23H,6-9,12H2,1H3,(H,21,26)(H2,22,24,25,27)
InChIKeyCZMXNGMGNVUHOW-UHFFFAOYSA-N
XLogP2.26
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 55917738
2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 78807187
2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 71912796
2-(3,5-difluoroanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 35824098
2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26506588
2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 43015979
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225
2-(2-methoxyethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687947
2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202795
2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 55437044
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27562284

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide (CID 55919274) is 2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide is COCCNC(=O)c1ccc(NCC(=O)NC(=O)NCCc2cccs2)cc1Cl.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide?
The InChIKey is CZMXNGMGNVUHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O4S/c1-28-9-8-21-18(26)15-5-4-13(11-16(15)20)23-12-17(25)24-19(27)22-7-6-14-3-2-10-29-14/h2-5,10-11,23H,6-9,12H2,1H3,(H,21,26)(H2,22,24,25,27).
What are the key properties of 2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide?
2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide has a molecular weight of 438.94 g/mol, XLogP of 2.26, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide is sourced from PubChem (CID 55919274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).