N-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide

C22H33N3O3S — CID 110248720

IUPACN-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide
SMILESCN1CCC(CNS(=O)(=O)c2ccc3c(c2)C(NC(=O)C2CCCC2)CC3)CC1
InChIInChI=1S/C22H33N3O3S/c1-25-12-10-16(11-13-25)15-23-29(27,28)19-8-6-17-7-9-21(20(17)14-19)24-22(26)18-4-2-3-5-18/h6,8,14,16,18,21,23H,2-5,7,9-13,15H2,1H3,(H,24,26)
InChIKeyHMSWTFKWFUZSHR-UHFFFAOYSA-N
MW419.59 g/mol
LogP2.60
Rot. Bonds6

About N-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide

N-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide (PubChem CID 110248720) has the molecular formula C22H33N3O3S and a molecular weight of 419.59 g/mol. Its IUPAC name is N-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide
PubChem CID110248720
Molecular FormulaC22H33N3O3S
Molecular Weight419.59 g/mol
Exact Mass419.22
IUPAC NameN-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide
SMILESCN1CCC(CNS(=O)(=O)c2ccc3c(c2)C(NC(=O)C2CCCC2)CC3)CC1
InChIInChI=1S/C22H33N3O3S/c1-25-12-10-16(11-13-25)15-23-29(27,28)19-8-6-17-7-9-21(20(17)14-19)24-22(26)18-4-2-3-5-18/h6,8,14,16,18,21,23H,2-5,7,9-13,15H2,1H3,(H,24,26)
InChIKeyHMSWTFKWFUZSHR-UHFFFAOYSA-N
XLogP2.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide with MolForge

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Related Compounds

N-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide
CID 95806362
methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66805415
N-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide
CID 95806285
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449
N-[(1S)-6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide
CID 95806360
N-cyclopentyl-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 20901002
3-chloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887439
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887423
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887425
2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887477
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide
CID 79741197

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide?
The IUPAC name of N-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide (CID 110248720) is N-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide is CN1CCC(CNS(=O)(=O)c2ccc3c(c2)C(NC(=O)C2CCCC2)CC3)CC1.
What is the InChIKey of N-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide?
The InChIKey is HMSWTFKWFUZSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3S/c1-25-12-10-16(11-13-25)15-23-29(27,28)19-8-6-17-7-9-21(20(17)14-19)24-22(26)18-4-2-3-5-18/h6,8,14,16,18,21,23H,2-5,7,9-13,15H2,1H3,(H,24,26).
What are the key properties of N-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide?
N-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide has a molecular weight of 419.59 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide is sourced from PubChem (CID 110248720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).