1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide

C25H30BrN3O4S — CID 15988989

IUPAC1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
SMILESCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC(C(=O)N(C)c4cc(C)ccc4C)CC3)c21
InChIInChI=1S/C25H30BrN3O4S/c1-16-5-6-17(2)22(13-16)27(4)25(31)19-7-10-28(11-8-19)34(32,33)23-15-21(26)14-20-9-12-29(18(3)30)24(20)23/h5-6,13-15,19H,7-12H2,1-4H3
InChIKeyLYQZBMNONNCTLX-UHFFFAOYSA-N
MW548.50 g/mol
LogP4.04
Rot. Bonds4

About 1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide

1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide (PubChem CID 15988989) has the molecular formula C25H30BrN3O4S and a molecular weight of 548.50 g/mol. Its IUPAC name is 1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
PubChem CID15988989
Molecular FormulaC25H30BrN3O4S
Molecular Weight548.50 g/mol
Exact Mass547.11
IUPAC Name1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
SMILESCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC(C(=O)N(C)c4cc(C)ccc4C)CC3)c21
InChIInChI=1S/C25H30BrN3O4S/c1-16-5-6-17(2)22(13-16)27(4)25(31)19-7-10-28(11-8-19)34(32,33)23-15-21(26)14-20-9-12-29(18(3)30)24(20)23/h5-6,13-15,19H,7-12H2,1-4H3
InChIKeyLYQZBMNONNCTLX-UHFFFAOYSA-N
XLogP4.04
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
CID 55918606
1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 22429087
1-acetyl-5-bromo-N-(2-bromo-4-methylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 22421372
1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 126478749
[5-bromo-7-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 15987810
1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride
CID 45156700
1-[5-bromo-7-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 3324791
[5-bromo-7-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 15987827
1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 4225977
1-[7-(4-benzylpiperidin-1-yl)sulfonyl-5-bromo-2,3-dihydroindol-1-yl]propan-1-one
CID 22422219
1-[1-(2,5-dibromophenyl)sulfonylpiperidin-4-yl]ethanone
CID 63846251
1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 4280731

Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide (CID 15988989) is 1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide is CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC(C(=O)N(C)c4cc(C)ccc4C)CC3)c21.
What is the InChIKey of 1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is LYQZBMNONNCTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30BrN3O4S/c1-16-5-6-17(2)22(13-16)27(4)25(31)19-7-10-28(11-8-19)34(32,33)23-15-21(26)14-20-9-12-29(18(3)30)24(20)23/h5-6,13-15,19H,7-12H2,1-4H3.
What are the key properties of 1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide?
1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 548.50 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 15988989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).