N-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide

C19H30N2O3S — CID 20629316

IUPACN-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC1CC(C)c2cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc21
InChIInChI=1S/C19H30N2O3S/c1-13(2)25(23,24)20-10-6-5-7-19(22)21-16-8-9-17-14(3)11-15(4)18(17)12-16/h8-9,12-15,20H,5-7,10-11H2,1-4H3,(H,21,22)
InChIKeyQRPBQJRNRBTPID-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.73
Rot. Bonds8

About N-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide

N-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 20629316) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID20629316
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC1CC(C)c2cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc21
InChIInChI=1S/C19H30N2O3S/c1-13(2)25(23,24)20-10-6-5-7-19(22)21-16-8-9-17-14(3)11-15(4)18(17)12-16/h8-9,12-15,20H,5-7,10-11H2,1-4H3,(H,21,22)
InChIKeyQRPBQJRNRBTPID-UHFFFAOYSA-N
XLogP3.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629231
N-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20630093
N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629138
N-[4-(2,3-dimethylcyclohexyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629977
N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide
CID 20630493
N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629196
5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide
CID 20629238
N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629318
5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide
CID 20630489
2,3,5-trimethyl-N-propan-2-yl-4-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide
CID 20631001
N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide
CID 20629712
N-(3-phenylphenyl)-5-(sulfamoylamino)pentanamide
CID 44591286

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide (CID 20629316) is N-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide is CC1CC(C)c2cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is QRPBQJRNRBTPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-13(2)25(23,24)20-10-6-5-7-19(22)21-16-8-9-17-14(3)11-15(4)18(17)12-16/h8-9,12-15,20H,5-7,10-11H2,1-4H3,(H,21,22).
What are the key properties of N-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide?
N-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 366.53 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 20629316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).