N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide

C16H15BrN2OS — CID 55801706

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NCc1cc(Br)cs1
InChIInChI=1S/C16H15BrN2OS/c1-11-6-12-4-2-3-5-15(12)19(11)9-16(20)18-8-14-7-13(17)10-21-14/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyOEIMDRUAFZASNL-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.09
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide

N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide (PubChem CID 55801706) has the molecular formula C16H15BrN2OS and a molecular weight of 363.28 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
PubChem CID55801706
Molecular FormulaC16H15BrN2OS
Molecular Weight363.28 g/mol
Exact Mass362.01
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NCc1cc(Br)cs1
InChIInChI=1S/C16H15BrN2OS/c1-11-6-12-4-2-3-5-15(12)19(11)9-16(20)18-8-14-7-13(17)10-21-14/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyOEIMDRUAFZASNL-UHFFFAOYSA-N
XLogP4.09
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylindol-1-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 9093001
2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51238620
N-(4-bromophenyl)-2-(2-methylindol-1-yl)acetamide
CID 4226117
2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60981974
N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide
CID 30858933
N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 36907060
N-cyclopropyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]acetamide
CID 46418927
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methylindol-1-yl)acetamide
CID 46522919
N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide
CID 107299993
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 107844939
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide
CID 47250162
N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide
CID 55801945

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide (CID 55801706) is N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide is Cc1cc2ccccc2n1CC(=O)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide?
The InChIKey is OEIMDRUAFZASNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2OS/c1-11-6-12-4-2-3-5-15(12)19(11)9-16(20)18-8-14-7-13(17)10-21-14/h2-7,10H,8-9H2,1H3,(H,18,20).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide?
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide has a molecular weight of 363.28 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide is sourced from PubChem (CID 55801706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).