N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C24H31N3O3S — CID 55710130

IUPACN-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1CCN(Cc2ccccc2CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1
InChIInChI=1S/C24H31N3O3S/c1-18-9-12-26(13-10-18)17-22-6-4-3-5-21(22)16-25-24(28)20-7-8-23-19(15-20)11-14-27(23)31(2,29)30/h3-8,15,18H,9-14,16-17H2,1-2H3,(H,25,28)
InChIKeyQVCRKHBRGPBZMA-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.17
Rot. Bonds6

About N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55710130) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID55710130
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1CCN(Cc2ccccc2CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1
InChIInChI=1S/C24H31N3O3S/c1-18-9-12-26(13-10-18)17-22-6-4-3-5-21(22)16-25-24(28)20-7-8-23-19(15-20)11-14-27(23)31(2,29)30/h3-8,15,18H,9-14,16-17H2,1-2H3,(H,25,28)
InChIKeyQVCRKHBRGPBZMA-UHFFFAOYSA-N
XLogP3.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 9143473
1-methylsulfonyl-N-[[2-(phenoxymethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 46600123
N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55583046
1-methylsulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 9463690
N-[2-(2-methylpropanoylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43012689
N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 154834680
1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 26444808
3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46466905
N-[2-(cycloheptylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 119619904
1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide
CID 51325795
N-(2-cyclohexylethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46481193
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789985

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 55710130) is N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CC1CCN(Cc2ccccc2CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1.
What is the InChIKey of N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is QVCRKHBRGPBZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-18-9-12-26(13-10-18)17-22-6-4-3-5-21(22)16-25-24(28)20-7-8-23-19(15-20)11-14-27(23)31(2,29)30/h3-8,15,18H,9-14,16-17H2,1-2H3,(H,25,28).
What are the key properties of N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 441.60 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55710130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).