1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone

C14H12ClNOS — CID 107361507

IUPAC1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESO=C(CC1CNc2ccccc21)c1sccc1Cl
InChIInChI=1S/C14H12ClNOS/c15-11-5-6-18-14(11)13(17)7-9-8-16-12-4-2-1-3-10(9)12/h1-6,9,16H,7-8H2
InChIKeyVZCPAHFSYCRYFP-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.18
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone

1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone (PubChem CID 107361507) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
PubChem CID107361507
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESO=C(CC1CNc2ccccc21)c1sccc1Cl
InChIInChI=1S/C14H12ClNOS/c15-11-5-6-18-14(11)13(17)7-9-8-16-12-4-2-1-3-10(9)12/h1-6,9,16H,7-8H2
InChIKeyVZCPAHFSYCRYFP-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
CID 116593548
1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 116593567
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone
CID 116593595
1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 106655553
2-(2,3-dihydro-1H-indol-3-yl)-1-(4-ethylphenyl)ethanone
CID 116593600
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 116593507
1-(4-bromo-2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
CID 116593495
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone
CID 116593479
N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 113464669
1-(3-bromo-2-fluorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 106647229
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80571757

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone (CID 107361507) is 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone is O=C(CC1CNc2ccccc21)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The InChIKey is VZCPAHFSYCRYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS/c15-11-5-6-18-14(11)13(17)7-9-8-16-12-4-2-1-3-10(9)12/h1-6,9,16H,7-8H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone has a molecular weight of 277.78 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 107361507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).