(5-bromofuran-2-yl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone

C17H12BrNO2S — CID 20877058

IUPAC(5-bromofuran-2-yl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCc2cc(-c3ccsc3)ccc21
InChIInChI=1S/C17H12BrNO2S/c18-16-4-3-15(21-16)17(20)19-7-5-12-9-11(1-2-14(12)19)13-6-8-22-10-13/h1-4,6,8-10H,5,7H2
InChIKeyXDDXUJNPIOHTAY-UHFFFAOYSA-N
MW374.26 g/mol
LogP4.97
Rot. Bonds2

About (5-bromofuran-2-yl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone

(5-bromofuran-2-yl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone (PubChem CID 20877058) has the molecular formula C17H12BrNO2S and a molecular weight of 374.26 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone
PubChem CID20877058
Molecular FormulaC17H12BrNO2S
Molecular Weight374.26 g/mol
Exact Mass372.98
IUPAC Name(5-bromofuran-2-yl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCc2cc(-c3ccsc3)ccc21
InChIInChI=1S/C17H12BrNO2S/c18-16-4-3-15(21-16)17(20)19-7-5-12-9-11(1-2-14(12)19)13-6-8-22-10-13/h1-4,6,8-10H,5,7H2
InChIKeyXDDXUJNPIOHTAY-UHFFFAOYSA-N
XLogP4.97
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone
CID 20877057
(5-bromofuran-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 113228436
1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone
CID 82344236
1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 43217662
(5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110749680
(5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51947990
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
CID 82540699
(6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 56788508
5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide
CID 53143253
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide
CID 53043824
(3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 91813767
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 2453360

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone (CID 20877058) is (5-bromofuran-2-yl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(Br)o1)N1CCc2cc(-c3ccsc3)ccc21.
What is the InChIKey of (5-bromofuran-2-yl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is XDDXUJNPIOHTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO2S/c18-16-4-3-15(21-16)17(20)19-7-5-12-9-11(1-2-14(12)19)13-6-8-22-10-13/h1-4,6,8-10H,5,7H2.
What are the key properties of (5-bromofuran-2-yl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone?
(5-bromofuran-2-yl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 374.26 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 20877058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).