2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C23H29N3O4S — CID 40797160

IUPAC2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C23H29N3O4S/c1-17-14-18-8-4-5-9-21(18)26(17)23(27)16-24-20-15-19(10-11-22(20)30-2)31(28,29)25-12-6-3-7-13-25/h4-5,8-11,15,17,24H,3,6-7,12-14,16H2,1-2H3/t17-/m1/s1
InChIKeyLLHARIQOPCEITF-QGZVFWFLSA-N
MW443.57 g/mol
LogP3.26
Rot. Bonds6

About 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 40797160) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID40797160
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C23H29N3O4S/c1-17-14-18-8-4-5-9-21(18)26(17)23(27)16-24-20-15-19(10-11-22(20)30-2)31(28,29)25-12-6-3-7-13-25/h4-5,8-11,15,17,24H,3,6-7,12-14,16H2,1-2H3/t17-/m1/s1
InChIKeyLLHARIQOPCEITF-QGZVFWFLSA-N
XLogP3.26
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone
CID 25390599
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 133199873
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
CID 4884596
2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 42975014
2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-1-(2-methylmorpholin-4-yl)ethanone
CID 55478397
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 4803148
2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55364781
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112766000
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide
CID 125048979
(2-methyl-2,3-dihydroindol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 3449994
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 4839885
2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 5221069

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 40797160) is 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)N1c2ccccc2C[C@H]1C.
What is the InChIKey of 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is LLHARIQOPCEITF-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-17-14-18-8-4-5-9-21(18)26(17)23(27)16-24-20-15-19(10-11-22(20)30-2)31(28,29)25-12-6-3-7-13-25/h4-5,8-11,15,17,24H,3,6-7,12-14,16H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 443.57 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 40797160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).