N-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide

C21H28N4O3S — CID 95806362

IUPACN-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide
SMILESCc1nccn1CCNS(=O)(=O)c1ccc2c(c1)[C@@H](NC(=O)C1CCCC1)CC2
InChIInChI=1S/C21H28N4O3S/c1-15-22-10-12-25(15)13-11-23-29(27,28)18-8-6-16-7-9-20(19(16)14-18)24-21(26)17-4-2-3-5-17/h6,8,10,12,14,17,20,23H,2-5,7,9,11,13H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyJGQXUSRSHJIWSP-FQEVSTJZSA-N
MW416.55 g/mol
LogP2.46
Rot. Bonds7

About N-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide

N-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide (PubChem CID 95806362) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide
PubChem CID95806362
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC NameN-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide
SMILESCc1nccn1CCNS(=O)(=O)c1ccc2c(c1)[C@@H](NC(=O)C1CCCC1)CC2
InChIInChI=1S/C21H28N4O3S/c1-15-22-10-12-25(15)13-11-23-29(27,28)18-8-6-16-7-9-20(19(16)14-18)24-21(26)17-4-2-3-5-17/h6,8,10,12,14,17,20,23H,2-5,7,9,11,13H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyJGQXUSRSHJIWSP-FQEVSTJZSA-N
XLogP2.46
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide (CID 95806362) is N-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide is Cc1nccn1CCNS(=O)(=O)c1ccc2c(c1)[C@@H](NC(=O)C1CCCC1)CC2.
What is the InChIKey of N-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide?
The InChIKey is JGQXUSRSHJIWSP-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-15-22-10-12-25(15)13-11-23-29(27,28)18-8-6-16-7-9-20(19(16)14-18)24-21(26)17-4-2-3-5-17/h6,8,10,12,14,17,20,23H,2-5,7,9,11,13H2,1H3,(H,24,26)/t20-/m0/s1.
What are the key properties of N-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide?
N-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide has a molecular weight of 416.55 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide is sourced from PubChem (CID 95806362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).