1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide

C23H26ClN3O4S — CID 20901880

IUPAC1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)cc2CC1C
InChIInChI=1S/C23H26ClN3O4S/c1-15-12-18-13-21(6-7-22(18)27(15)16(2)28)32(30,31)26-10-8-17(9-11-26)23(29)25-20-5-3-4-19(24)14-20/h3-7,13-15,17H,8-12H2,1-2H3,(H,25,29)
InChIKeyKCYDMUMPHPNVRI-UHFFFAOYSA-N
MW476.00 g/mol
LogP3.68
Rot. Bonds4

About 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide

1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide (PubChem CID 20901880) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
PubChem CID20901880
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC Name1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)cc2CC1C
InChIInChI=1S/C23H26ClN3O4S/c1-15-12-18-13-21(6-7-22(18)27(15)16(2)28)32(30,31)26-10-8-17(9-11-26)23(29)25-20-5-3-4-19(24)14-20/h3-7,13-15,17H,8-12H2,1-2H3,(H,25,29)
InChIKeyKCYDMUMPHPNVRI-UHFFFAOYSA-N
XLogP3.68
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide (CID 20901880) is 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide is CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)cc2CC1C.
What is the InChIKey of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide?
The InChIKey is KCYDMUMPHPNVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-15-12-18-13-21(6-7-22(18)27(15)16(2)28)32(30,31)26-10-8-17(9-11-26)23(29)25-20-5-3-4-19(24)14-20/h3-7,13-15,17H,8-12H2,1-2H3,(H,25,29).
What are the key properties of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide?
1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide has a molecular weight of 476.00 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 20901880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).