N-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide

C17H19BrN2O2S — CID 113060405

IUPACN-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1cccs1)c1ccc(C)c(Br)c1
InChIInChI=1S/C17H19BrN2O2S/c1-12-5-6-14(10-16(12)18)20(13(2)21)8-7-19-17(22)11-15-4-3-9-23-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,22)
InChIKeyWHBDUAUNBPDKPM-UHFFFAOYSA-N
MW395.32 g/mol
LogP3.53
Rot. Bonds6

About N-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide

N-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 113060405) has the molecular formula C17H19BrN2O2S and a molecular weight of 395.32 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide
PubChem CID113060405
Molecular FormulaC17H19BrN2O2S
Molecular Weight395.32 g/mol
Exact Mass394.04
IUPAC NameN-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1cccs1)c1ccc(C)c(Br)c1
InChIInChI=1S/C17H19BrN2O2S/c1-12-5-6-14(10-16(12)18)20(13(2)21)8-7-19-17(22)11-15-4-3-9-23-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,22)
InChIKeyWHBDUAUNBPDKPM-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113058958
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059977
2-(N-acetyl-3-bromo-4-methylanilino)-N-propylacetamide
CID 113173025
N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060416
3-(N-acetyl-3-bromo-4-methylanilino)-N-butylpropanamide
CID 113128654
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide
CID 113057921
N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide
CID 113057598
2-(N-acetyl-3-bromo-4-methylanilino)-N-butylacetamide
CID 113173029
N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113057472
N-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide
CID 42701383
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide (CID 113060405) is N-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide is CC(=O)N(CCNC(=O)Cc1cccs1)c1ccc(C)c(Br)c1.
What is the InChIKey of N-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is WHBDUAUNBPDKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2S/c1-12-5-6-14(10-16(12)18)20(13(2)21)8-7-19-17(22)11-15-4-3-9-23-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 395.32 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113060405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).