2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide

C22H25N3O3S — CID 24617781

IUPAC2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3c(C)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H25N3O3S/c1-15-7-9-18(10-8-15)29(27,28)25-13-11-17(12-14-25)24-22(26)21-16(2)23-20-6-4-3-5-19(20)21/h3-10,17,23H,11-14H2,1-2H3,(H,24,26)
InChIKeyPIHRSIFEUZCMBC-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.37
Rot. Bonds4

About 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide

2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide (PubChem CID 24617781) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide
PubChem CID24617781
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3c(C)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H25N3O3S/c1-15-7-9-18(10-8-15)29(27,28)25-13-11-17(12-14-25)24-22(26)21-16(2)23-20-6-4-3-5-19(20)21/h3-10,17,23H,11-14H2,1-2H3,(H,24,26)
InChIKeyPIHRSIFEUZCMBC-UHFFFAOYSA-N
XLogP3.37
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
CID 113086652
1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethane-1,2-dione
CID 43063930
2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 86970649
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562939
2-hydroxy-4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 30095697
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide
CID 24617778
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218791
3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 26073704
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide (CID 24617781) is 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3c(C)[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide?
The InChIKey is PIHRSIFEUZCMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-15-7-9-18(10-8-15)29(27,28)25-13-11-17(12-14-25)24-22(26)21-16(2)23-20-6-4-3-5-19(20)21/h3-10,17,23H,11-14H2,1-2H3,(H,24,26).
What are the key properties of 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide?
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide is sourced from PubChem (CID 24617781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).