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

C21H28N4O3S — CID 92634771

IUPACN-[(1S)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1CCC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NC3CCCC3)cc21
InChIInChI=1S/C21H28N4O3S/c1-15-22-11-13-25(15)12-10-21(26)23-20-9-7-16-6-8-18(14-19(16)20)29(27,28)24-17-4-2-3-5-17/h6,8,11,13-14,17,20,24H,2-5,7,9-10,12H2,1H3,(H,23,26)/t20-/m0/s1
InChIKeyXPAOESBXXLBZBK-FQEVSTJZSA-N
MW416.55 g/mol
LogP2.61
Rot. Bonds7

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

N-[(1S)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-(2-methylimidazol-1-yl)propanamide (PubChem CID 92634771) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[(1S)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-(2-methylimidazol-1-yl)propanamide
PubChem CID92634771
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC NameN-[(1S)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1CCC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NC3CCCC3)cc21
InChIInChI=1S/C21H28N4O3S/c1-15-22-11-13-25(15)12-10-21(26)23-20-9-7-16-6-8-18(14-19(16)20)29(27,28)24-17-4-2-3-5-17/h6,8,11,13-14,17,20,24H,2-5,7,9-10,12H2,1H3,(H,23,26)/t20-/m0/s1
InChIKeyXPAOESBXXLBZBK-FQEVSTJZSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide
CID 95806285
N-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide
CID 95806362
N-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131896789
N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide
CID 95622362
N-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide
CID 110248720
N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide
CID 110760236
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 125176327
trans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 90808600
N-[(1R)-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]acetamide
CID 95806337
4-(2-methylimidazol-1-yl)butan-2-one
CID 43121484
N-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683402

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of N-[(1S)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-(2-methylimidazol-1-yl)propanamide (CID 92634771) is N-[(1S)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(1S)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for N-[(1S)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-(2-methylimidazol-1-yl)propanamide is Cc1nccn1CCC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NC3CCCC3)cc21.
What is the InChIKey of N-[(1S)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-(2-methylimidazol-1-yl)propanamide?
The InChIKey is XPAOESBXXLBZBK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-15-22-11-13-25(15)12-10-21(26)23-20-9-7-16-6-8-18(14-19(16)20)29(27,28)24-17-4-2-3-5-17/h6,8,11,13-14,17,20,24H,2-5,7,9-10,12H2,1H3,(H,23,26)/t20-/m0/s1.
What are the key properties of N-[(1S)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-(2-methylimidazol-1-yl)propanamide?
N-[(1S)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-(2-methylimidazol-1-yl)propanamide has a molecular weight of 416.55 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 92634771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).