N-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide

C21H31N3O3S — CID 95806285

IUPACN-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)N[C@@H]1CCc2ccc(S(=O)(=O)NC3CCCC3)cc21
InChIInChI=1S/C21H31N3O3S/c25-21(11-14-24-12-3-4-13-24)22-20-10-8-16-7-9-18(15-19(16)20)28(26,27)23-17-5-1-2-6-17/h7,9,15,17,20,23H,1-6,8,10-14H2,(H,22,25)/t20-/m1/s1
InChIKeyNMIPPLFBCTWDID-HXUWFJFHSA-N
MW405.56 g/mol
LogP2.50
Rot. Bonds7

About N-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide

N-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 95806285) has the molecular formula C21H31N3O3S and a molecular weight of 405.56 g/mol. Its IUPAC name is N-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide
PubChem CID95806285
Molecular FormulaC21H31N3O3S
Molecular Weight405.56 g/mol
Exact Mass405.21
IUPAC NameN-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)N[C@@H]1CCc2ccc(S(=O)(=O)NC3CCCC3)cc21
InChIInChI=1S/C21H31N3O3S/c25-21(11-14-24-12-3-4-13-24)22-20-10-8-16-7-9-18(15-19(16)20)28(26,27)23-17-5-1-2-6-17/h7,9,15,17,20,23H,1-6,8,10-14H2,(H,22,25)/t20-/m1/s1
InChIKeyNMIPPLFBCTWDID-HXUWFJFHSA-N
XLogP2.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.56
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-(2-methylimidazol-1-yl)propanamide
CID 92634771
N-[6-[(1-methylpiperidin-4-yl)methylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide
CID 110248720
N-[(1S)-6-[2-(2-methylimidazol-1-yl)ethylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]cyclopentanecarboxamide
CID 95806362
N-cycloheptyl-3-pyrrolidin-1-ylpropanamide
CID 110688180
3-(azepan-1-yl)-N-cyclohexylpropanamide
CID 109014005
N-cyclohexyl-3-pyrrolidin-1-ylpropanamide
CID 71029146
4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864290
3-(4-hydroxypiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 110882834
1-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]piperidine-4-carboxamide
CID 56810651
3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 112840502
N-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 55989752
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide chloride
CID 53351434

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide (CID 95806285) is N-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide is O=C(CCN1CCCC1)N[C@@H]1CCc2ccc(S(=O)(=O)NC3CCCC3)cc21.
What is the InChIKey of N-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is NMIPPLFBCTWDID-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H31N3O3S/c25-21(11-14-24-12-3-4-13-24)22-20-10-8-16-7-9-18(15-19(16)20)28(26,27)23-17-5-1-2-6-17/h7,9,15,17,20,23H,1-6,8,10-14H2,(H,22,25)/t20-/m1/s1.
What are the key properties of N-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide?
N-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 405.56 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 95806285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).