N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

C18H23N3O4S — CID 55954561

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCOc2ccc3c(c2)CCC3)n(C)c1
InChIInChI=1S/C18H23N3O4S/c1-19-26(23,24)16-11-17(21(2)12-16)18(22)20-8-9-25-15-7-6-13-4-3-5-14(13)10-15/h6-7,10-12,19H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyWRZUALBTGNHQNP-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.23
Rot. Bonds7

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 55954561) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
PubChem CID55954561
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCOc2ccc3c(c2)CCC3)n(C)c1
InChIInChI=1S/C18H23N3O4S/c1-19-26(23,24)16-11-17(21(2)12-16)18(22)20-8-9-25-15-7-6-13-4-3-5-14(13)10-15/h6-7,10-12,19H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyWRZUALBTGNHQNP-UHFFFAOYSA-N
XLogP1.23
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 51125129
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide
CID 113101431
N-cyclopentyl-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34366355
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 55953414
2-hydroxy-4-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 107832704
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 47064713
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 55742136
2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzamide
CID 113101544
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (CID 55954561) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is CNS(=O)(=O)c1cc(C(=O)NCCOc2ccc3c(c2)CCC3)n(C)c1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is WRZUALBTGNHQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-19-26(23,24)16-11-17(21(2)12-16)18(22)20-8-9-25-15-7-6-13-4-3-5-14(13)10-15/h6-7,10-12,19H,3-5,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 55954561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).