(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone

C16H14BrNO2S — CID 107360353

IUPAC(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone
SMILESCOc1cccc2c1c(C(=O)c1cc(C)c(Br)s1)cn2C
InChIInChI=1S/C16H14BrNO2S/c1-9-7-13(21-16(9)17)15(19)10-8-18(2)11-5-4-6-12(20-3)14(10)11/h4-8H,1-3H3
InChIKeyKIOQZFOJPMOGCJ-UHFFFAOYSA-N
MW364.26 g/mol
LogP4.55
Rot. Bonds3

About (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone

(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone (PubChem CID 107360353) has the molecular formula C16H14BrNO2S and a molecular weight of 364.26 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone
PubChem CID107360353
Molecular FormulaC16H14BrNO2S
Molecular Weight364.26 g/mol
Exact Mass362.99
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone
SMILESCOc1cccc2c1c(C(=O)c1cc(C)c(Br)s1)cn2C
InChIInChI=1S/C16H14BrNO2S/c1-9-7-13(21-16(9)17)15(19)10-8-18(2)11-5-4-6-12(20-3)14(10)11/h4-8H,1-3H3
InChIKeyKIOQZFOJPMOGCJ-UHFFFAOYSA-N
XLogP4.55
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone (CID 107360353) is (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone is COc1cccc2c1c(C(=O)c1cc(C)c(Br)s1)cn2C.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone?
The InChIKey is KIOQZFOJPMOGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2S/c1-9-7-13(21-16(9)17)15(19)10-8-18(2)11-5-4-6-12(20-3)14(10)11/h4-8H,1-3H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone?
(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone has a molecular weight of 364.26 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone is sourced from PubChem (CID 107360353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).