(2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

C22H26N2O5S — CID 55438542

IUPAC(2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1OC
InChIInChI=1S/C22H26N2O5S/c1-28-20-8-6-7-18(21(20)29-2)22(25)24-14-11-16-15-17(9-10-19(16)24)30(26,27)23-12-4-3-5-13-23/h6-10,15H,3-5,11-14H2,1-2H3
InChIKeyRALAFEKJMQGRAU-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.08
Rot. Bonds5

About (2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

(2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 55438542) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
PubChem CID55438542
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name(2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1OC
InChIInChI=1S/C22H26N2O5S/c1-28-20-8-6-7-18(21(20)29-2)22(25)24-14-11-16-15-17(9-10-19(16)24)30(26,27)23-12-4-3-5-13-23/h6-10,15H,3-5,11-14H2,1-2H3
InChIKeyRALAFEKJMQGRAU-UHFFFAOYSA-N
XLogP3.08
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17418564
(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17421426
(2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55759909
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55438372
2-(2-methoxy-5-methylphenyl)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 18097874
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55632192
furan-2-yl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17416161
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dimethoxybenzamide
CID 51556740
(5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 19258880
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 55661488
4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 55438572
[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (CID 55438542) is (2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is COc1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is RALAFEKJMQGRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-28-20-8-6-7-18(21(20)29-2)22(25)24-14-11-16-15-17(9-10-19(16)24)30(26,27)23-12-4-3-5-13-23/h6-10,15H,3-5,11-14H2,1-2H3.
What are the key properties of (2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
(2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 430.53 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 55438542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).