N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide

C24H31N3O3S — CID 133189152

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
SMILESCC(NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C24H31N3O3S/c1-18(22-11-10-20-4-3-5-23(20)16-22)25-24(28)21-8-6-19(7-9-21)17-31(29,30)27-14-12-26(2)13-15-27/h6-11,16,18H,3-5,12-15,17H2,1-2H3,(H,25,28)
InChIKeyXNAVKLHKCSXIQP-UHFFFAOYSA-N
MW441.60 g/mol
LogP2.74
Rot. Bonds6

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide (PubChem CID 133189152) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
PubChem CID133189152
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
SMILESCC(NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C24H31N3O3S/c1-18(22-11-10-20-4-3-5-23(20)16-22)25-24(28)21-8-6-19(7-9-21)17-31(29,30)27-14-12-26(2)13-15-27/h6-11,16,18H,3-5,12-15,17H2,1-2H3,(H,25,28)
InChIKeyXNAVKLHKCSXIQP-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(4-methylphenyl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969605
N-[1-(4-methylphenyl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 132664899
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 97267629
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 133188888
4-(benzenesulfonylmethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 55756465
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 9395957
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
N-[(2S)-1-methoxypropan-2-yl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 95396865
N-[(2R)-1-methoxypropan-2-yl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 95396866
4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133191869
N-[1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43909251
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 31735604

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide (CID 133189152) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide is CC(NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide?
The InChIKey is XNAVKLHKCSXIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-18(22-11-10-20-4-3-5-23(20)16-22)25-24(28)21-8-6-19(7-9-21)17-31(29,30)27-14-12-26(2)13-15-27/h6-11,16,18H,3-5,12-15,17H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide has a molecular weight of 441.60 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide is sourced from PubChem (CID 133189152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).