N-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

C16H13BrN2O2S — CID 71935280

IUPACN-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCc1sccc1Br
InChIInChI=1S/C16H13BrN2O2S/c1-9-14(10-4-2-3-5-12(10)19-9)15(20)16(21)18-8-13-11(17)6-7-22-13/h2-7,19H,8H2,1H3,(H,18,21)
InChIKeyLLTKCMWBICCYQP-UHFFFAOYSA-N
MW377.26 g/mol
LogP3.80
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

N-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 71935280) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID71935280
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCc1sccc1Br
InChIInChI=1S/C16H13BrN2O2S/c1-9-14(10-4-2-3-5-12(10)19-9)15(20)16(21)18-8-13-11(17)6-7-22-13/h2-7,19H,8H2,1H3,(H,18,21)
InChIKeyLLTKCMWBICCYQP-UHFFFAOYSA-N
XLogP3.80
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 2985901
N-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide
CID 78985843
N-but-3-ynyl-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 90537914
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 5296029
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 12758173
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide
CID 90538493
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 55650137
2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide
CID 47093388
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49089233
N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 7117693
(2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one
CID 9434127
2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide
CID 32986974

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 71935280) is N-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is LLTKCMWBICCYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c1-9-14(10-4-2-3-5-12(10)19-9)15(20)16(21)18-8-13-11(17)6-7-22-13/h2-7,19H,8H2,1H3,(H,18,21).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
N-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 377.26 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 71935280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).