(3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone

C14H10BrNOS — CID 63796678

IUPAC(3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone
SMILESCc1cccc2[nH]cc(C(=O)c3sccc3Br)c12
InChIInChI=1S/C14H10BrNOS/c1-8-3-2-4-11-12(8)9(7-16-11)13(17)14-10(15)5-6-18-14/h2-7,16H,1H3
InChIKeyNOEGQPOBKZLSEJ-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.53
Rot. Bonds2

About (3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone

(3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone (PubChem CID 63796678) has the molecular formula C14H10BrNOS and a molecular weight of 320.21 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone
PubChem CID63796678
Molecular FormulaC14H10BrNOS
Molecular Weight320.21 g/mol
Exact Mass318.97
IUPAC Name(3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone
SMILESCc1cccc2[nH]cc(C(=O)c3sccc3Br)c12
InChIInChI=1S/C14H10BrNOS/c1-8-3-2-4-11-12(8)9(7-16-11)13(17)14-10(15)5-6-18-14/h2-7,16H,1H3
InChIKeyNOEGQPOBKZLSEJ-UHFFFAOYSA-N
XLogP4.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
CID 113292183
(3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone
CID 83162872
(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 81472357
(2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 107949775
(4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 83163405
(5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
CID 63798607
1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
CID 43463190
(4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43341896
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one
CID 43163357
(3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096206
1-(4-methyl-1H-indol-3-yl)-2-phenylethane-1,2-dione
CID 135028802

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone (CID 63796678) is (3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone is Cc1cccc2[nH]cc(C(=O)c3sccc3Br)c12.
What is the InChIKey of (3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone?
The InChIKey is NOEGQPOBKZLSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNOS/c1-8-3-2-4-11-12(8)9(7-16-11)13(17)14-10(15)5-6-18-14/h2-7,16H,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone?
(3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone has a molecular weight of 320.21 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 63796678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).