2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide

C16H18ClN3O2S — CID 71912796

IUPAC2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(C)C(=O)Nc1ccc(C(=O)NCCc2cccs2)c(Cl)c1
InChIInChI=1S/C16H18ClN3O2S/c1-20(2)16(22)19-11-5-6-13(14(17)10-11)15(21)18-8-7-12-4-3-9-23-12/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyAOJOUTFILFJSJE-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.47
Rot. Bonds5

About 2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide

2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 71912796) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID71912796
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(C)C(=O)Nc1ccc(C(=O)NCCc2cccs2)c(Cl)c1
InChIInChI=1S/C16H18ClN3O2S/c1-20(2)16(22)19-11-5-6-13(14(17)10-11)15(21)18-8-7-12-4-3-9-23-12/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyAOJOUTFILFJSJE-UHFFFAOYSA-N
XLogP3.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide
CID 55919274
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225
2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 16787707
2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 113221452
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
3-[[3-chloro-4-(propylcarbamoyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 122077547
1-(3-chloro-4-thiomorpholin-4-ylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 60612095
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18071300
2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 32969473

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide (CID 71912796) is 2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide is CN(C)C(=O)Nc1ccc(C(=O)NCCc2cccs2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is AOJOUTFILFJSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-20(2)16(22)19-11-5-6-13(14(17)10-11)15(21)18-8-7-12-4-3-9-23-12/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide?
2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 351.86 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 71912796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).