2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide

C16H19BrN2OS — CID 9299122

IUPAC2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccc(Br)s2)cc1C
InChIInChI=1S/C16H19BrN2OS/c1-11-4-5-13(8-12(11)2)18-16(20)10-19(3)9-14-6-7-15(17)21-14/h4-8H,9-10H2,1-3H3,(H,18,20)
InChIKeyBVVOIFODHLMRLA-UHFFFAOYSA-N
MW367.31 g/mol
LogP4.20
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide

2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 9299122) has the molecular formula C16H19BrN2OS and a molecular weight of 367.31 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
PubChem CID9299122
Molecular FormulaC16H19BrN2OS
Molecular Weight367.31 g/mol
Exact Mass366.04
IUPAC Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccc(Br)s2)cc1C
InChIInChI=1S/C16H19BrN2OS/c1-11-4-5-13(8-12(11)2)18-16(20)10-19(3)9-14-6-7-15(17)21-14/h4-8H,9-10H2,1-3H3,(H,18,20)
InChIKeyBVVOIFODHLMRLA-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 9298717
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide
CID 60670553
2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide
CID 5258347
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide
CID 40702203
2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 62687003
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 60670568
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9294021
2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
CID 8900913
2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
CID 9299662
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(butylcarbamoyl)acetamide
CID 26650831
N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102591
N-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide
CID 112842313

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide (CID 9299122) is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2ccc(Br)s2)cc1C.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is BVVOIFODHLMRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2OS/c1-11-4-5-13(8-12(11)2)18-16(20)10-19(3)9-14-6-7-15(17)21-14/h4-8H,9-10H2,1-3H3,(H,18,20).
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide?
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 367.31 g/mol, XLogP of 4.20, 5 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-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 9299122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).