(5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate

C16H14BrNO3S — CID 78876840

IUPAC(5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate
SMILESCOc1ccc2[nH]cc(CC(=O)OCc3csc(Br)c3)c2c1
InChIInChI=1S/C16H14BrNO3S/c1-20-12-2-3-14-13(6-12)11(7-18-14)5-16(19)21-8-10-4-15(17)22-9-10/h2-4,6-7,9,18H,5,8H2,1H3
InChIKeyNZOUEFVDDPFIAD-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.29
Rot. Bonds5

About (5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate

(5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate (PubChem CID 78876840) has the molecular formula C16H14BrNO3S and a molecular weight of 380.26 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate
PubChem CID78876840
Molecular FormulaC16H14BrNO3S
Molecular Weight380.26 g/mol
Exact Mass378.99
IUPAC Name(5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate
SMILESCOc1ccc2[nH]cc(CC(=O)OCc3csc(Br)c3)c2c1
InChIInChI=1S/C16H14BrNO3S/c1-20-12-2-3-14-13(6-12)11(7-18-14)5-16(19)21-8-10-4-15(17)22-9-10/h2-4,6-7,9,18H,5,8H2,1H3
InChIKeyNZOUEFVDDPFIAD-UHFFFAOYSA-N
XLogP4.29
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78876841
(5-bromothiophen-3-yl)methyl 2-phenylacetate
CID 55704898
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78873695
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209629
(3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78874182
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668
[(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate
CID 96523711
2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide
CID 86985615
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872729
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate?
The IUPAC name of (5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate (CID 78876840) is (5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate.
What is the SMILES notation for (5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate?
The canonical SMILES for (5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate is COc1ccc2[nH]cc(CC(=O)OCc3csc(Br)c3)c2c1.
What is the InChIKey of (5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate?
The InChIKey is NZOUEFVDDPFIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3S/c1-20-12-2-3-14-13(6-12)11(7-18-14)5-16(19)21-8-10-4-15(17)22-9-10/h2-4,6-7,9,18H,5,8H2,1H3.
What are the key properties of (5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate?
(5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate has a molecular weight of 380.26 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate is sourced from PubChem (CID 78876840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).