2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide

C17H19BrN2OS — CID 9298717

IUPAC2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(Br)s1
InChIInChI=1S/C17H19BrN2OS/c1-20(10-15-7-8-16(18)22-15)11-17(21)19-14-6-5-12-3-2-4-13(12)9-14/h5-9H,2-4,10-11H2,1H3,(H,19,21)
InChIKeyLOBSKJCVKJWRKD-UHFFFAOYSA-N
MW379.32 g/mol
LogP4.07
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide

2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 9298717) has the molecular formula C17H19BrN2OS and a molecular weight of 379.32 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID9298717
Molecular FormulaC17H19BrN2OS
Molecular Weight379.32 g/mol
Exact Mass378.04
IUPAC Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(Br)s1
InChIInChI=1S/C17H19BrN2OS/c1-20(10-15-7-8-16(18)22-15)11-17(21)19-14-6-5-12-3-2-4-13(12)9-14/h5-9H,2-4,10-11H2,1H3,(H,19,21)
InChIKeyLOBSKJCVKJWRKD-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 9299122
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9101861
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8747426
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide
CID 60670553
N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide
CID 9108866
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide
CID 40702203
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2657966
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41374088
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
N-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide
CID 31278501
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
CID 2527490
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915417

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 9298717) is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide is CN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is LOBSKJCVKJWRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2OS/c1-20(10-15-7-8-16(18)22-15)11-17(21)19-14-6-5-12-3-2-4-13(12)9-14/h5-9H,2-4,10-11H2,1H3,(H,19,21).
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 379.32 g/mol, XLogP of 4.07, 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-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 9298717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).