2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide

C16H18BrClN2OS — CID 84973908

IUPAC2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(C)Cc1ccc(Br)s1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18BrClN2OS/c1-11(12-3-5-13(18)6-4-12)19-16(21)10-20(2)9-14-7-8-15(17)22-14/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyQCUAZAGQONOUDW-UHFFFAOYSA-N
MW401.76 g/mol
LogP4.47
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide

2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide (PubChem CID 84973908) has the molecular formula C16H18BrClN2OS and a molecular weight of 401.76 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
PubChem CID84973908
Molecular FormulaC16H18BrClN2OS
Molecular Weight401.76 g/mol
Exact Mass400.00
IUPAC Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(C)Cc1ccc(Br)s1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18BrClN2OS/c1-11(12-3-5-13(18)6-4-12)19-16(21)10-20(2)9-14-7-8-15(17)22-14/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyQCUAZAGQONOUDW-UHFFFAOYSA-N
XLogP4.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.76
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 9299053
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 9294268
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 9024530
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide
CID 60670553
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8540898
N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 55354120
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide
CID 40702203
2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053730
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9023731
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 60670568
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464739
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide
CID 9298947

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide (CID 84973908) is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide is CC(NC(=O)CN(C)Cc1ccc(Br)s1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is QCUAZAGQONOUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2OS/c1-11(12-3-5-13(18)6-4-12)19-16(21)10-20(2)9-14-7-8-15(17)22-14/h3-8,11H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide?
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 401.76 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 84973908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).