N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide

C22H27N3O6S2 — CID 24736687

IUPACN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CCc4cc(S(C)(=O)=O)ccc43)CC2)cc1
InChIInChI=1S/C22H27N3O6S2/c1-31-18-3-5-19(6-4-18)33(29,30)24-12-10-17(11-13-24)23-22(26)25-14-9-16-15-20(32(2,27)28)7-8-21(16)25/h3-8,15,17H,9-14H2,1-2H3,(H,23,26)
InChIKeyQVSBCYYTSVGUEA-UHFFFAOYSA-N
MW493.61 g/mol
LogP2.02
Rot. Bonds5

About N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide

N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide (PubChem CID 24736687) has the molecular formula C22H27N3O6S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
PubChem CID24736687
Molecular FormulaC22H27N3O6S2
Molecular Weight493.61 g/mol
Exact Mass493.13
IUPAC NameN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CCc4cc(S(C)(=O)=O)ccc43)CC2)cc1
InChIInChI=1S/C22H27N3O6S2/c1-31-18-3-5-19(6-4-18)33(29,30)24-12-10-17(11-13-24)23-22(26)25-14-9-16-15-20(32(2,27)28)7-8-21(16)25/h3-8,15,17H,9-14H2,1-2H3,(H,23,26)
InChIKeyQVSBCYYTSVGUEA-UHFFFAOYSA-N
XLogP2.02
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
CID 24736718
N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
CID 24736827
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 38198162
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
CID 20888248
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpentanamide
CID 25465668
3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 17497860
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-sulfanylbenzamide
CID 108561601
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 41171859
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 24668842

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide (CID 24736687) is N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide is COc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CCc4cc(S(C)(=O)=O)ccc43)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is QVSBCYYTSVGUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S2/c1-31-18-3-5-19(6-4-18)33(29,30)24-12-10-17(11-13-24)23-22(26)25-14-9-16-15-20(32(2,27)28)7-8-21(16)25/h3-8,15,17H,9-14H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide?
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 24736687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).