methyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate

C15H15NO4S2 — CID 110672703

IUPACmethyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate
SMILESCOC(=O)CC1CN(S(=O)(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C15H15NO4S2/c1-20-14(17)9-11-10-16(13-6-3-2-5-12(11)13)22(18,19)15-7-4-8-21-15/h2-8,11H,9-10H2,1H3
InChIKeyGGGQMDADUSHALB-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.60
Rot. Bonds4

About methyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate

methyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate (PubChem CID 110672703) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is methyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate
PubChem CID110672703
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC Namemethyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate
SMILESCOC(=O)CC1CN(S(=O)(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C15H15NO4S2/c1-20-14(17)9-11-10-16(13-6-3-2-5-12(11)13)22(18,19)15-7-4-8-21-15/h2-8,11H,9-10H2,1H3
InChIKeyGGGQMDADUSHALB-UHFFFAOYSA-N
XLogP2.60
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate
CID 110672702
methyl 2-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-3-yl]acetate
CID 110672713
N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 46891055
1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104538378
methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate
CID 110672730
methyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate
CID 71032368
methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate
CID 146137347
methyl 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-4-yl]acetate
CID 102334192
1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 115106363
methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate
CID 110672601
2-[1-(benzenesulfonyl)-5-methoxy-2,3-dihydroindol-3-yl]acetic acid
CID 70891893
methyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate
CID 70997252

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate?
The IUPAC name of methyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate (CID 110672703) is methyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate.
What is the SMILES notation for methyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate?
The canonical SMILES for methyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate is COC(=O)CC1CN(S(=O)(=O)c2cccs2)c2ccccc21.
What is the InChIKey of methyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate?
The InChIKey is GGGQMDADUSHALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S2/c1-20-14(17)9-11-10-16(13-6-3-2-5-12(11)13)22(18,19)15-7-4-8-21-15/h2-8,11H,9-10H2,1H3.
What are the key properties of methyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate?
methyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate has a molecular weight of 337.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate is sourced from PubChem (CID 110672703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).