(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

C20H22N2O4S — CID 17418564

IUPAC(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCC4)ccc32)c1
InChIInChI=1S/C20H22N2O4S/c1-26-17-6-4-5-16(13-17)20(23)22-12-9-15-14-18(7-8-19(15)22)27(24,25)21-10-2-3-11-21/h4-8,13-14H,2-3,9-12H2,1H3
InChIKeyYDJQXHMZNNBUHW-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.68
Rot. Bonds4

About (3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 17418564) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is (3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
PubChem CID17418564
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCC4)ccc32)c1
InChIInChI=1S/C20H22N2O4S/c1-26-17-6-4-5-16(13-17)20(23)22-12-9-15-14-18(7-8-19(15)22)27(24,25)21-10-2-3-11-21/h4-8,13-14H,2-3,9-12H2,1H3
InChIKeyYDJQXHMZNNBUHW-UHFFFAOYSA-N
XLogP2.68
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 55661488
(2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55438542
1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 55438632
[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 44624183
4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 55438572
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
methyl 4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoate
CID 55433839
(E)-3-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 26466074
N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 55667826
(4-ethoxy-3-methoxyphenyl)-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55433921

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (CID 17418564) is (3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is COc1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCC4)ccc32)c1.
What is the InChIKey of (3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is YDJQXHMZNNBUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-26-17-6-4-5-16(13-17)20(23)22-12-9-15-14-18(7-8-19(15)22)27(24,25)21-10-2-3-11-21/h4-8,13-14H,2-3,9-12H2,1H3.
What are the key properties of (3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 386.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 17418564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).