N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide

C15H15BrN2O2S — CID 113000560

IUPACN-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(NC(=O)CNC(=O)Cc2cccs2)c(Br)c1
InChIInChI=1S/C15H15BrN2O2S/c1-10-4-5-13(12(16)7-10)18-15(20)9-17-14(19)8-11-3-2-6-21-11/h2-7H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyUEPPFIQBZBPHGH-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide

N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide (PubChem CID 113000560) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
PubChem CID113000560
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(NC(=O)CNC(=O)Cc2cccs2)c(Br)c1
InChIInChI=1S/C15H15BrN2O2S/c1-10-4-5-13(12(16)7-10)18-15(20)9-17-14(19)8-11-3-2-6-21-11/h2-7H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyUEPPFIQBZBPHGH-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113000562
N-[4-methyl-2-[(2-thiophen-2-ylacetyl)amino]phenyl]thiophene-2-carboxamide
CID 3164945
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 113000553
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 110370222
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 113001015
2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 55437044
N-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide
CID 116813427
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 16540249
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide
CID 112998996
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide
CID 82707214

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide (CID 113000560) is N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide is Cc1ccc(NC(=O)CNC(=O)Cc2cccs2)c(Br)c1.
What is the InChIKey of N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide?
The InChIKey is UEPPFIQBZBPHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-10-4-5-13(12(16)7-10)18-15(20)9-17-14(19)8-11-3-2-6-21-11/h2-7H,8-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide?
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide has a molecular weight of 367.27 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113000560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).