N-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide

C20H23N3O3S — CID 119465619

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
SMILESNCCNS(=O)(=O)c1cccc(NC(=O)C2CC23CCc2ccccc23)c1
InChIInChI=1S/C20H23N3O3S/c21-10-11-22-27(25,26)16-6-3-5-15(12-16)23-19(24)18-13-20(18)9-8-14-4-1-2-7-17(14)20/h1-7,12,18,22H,8-11,13,21H2,(H,23,24)
InChIKeyIANALWHFEHMLEU-UHFFFAOYSA-N
MW385.49 g/mol
LogP1.77
Rot. Bonds6

About N-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide

N-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide (PubChem CID 119465619) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
PubChem CID119465619
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
SMILESNCCNS(=O)(=O)c1cccc(NC(=O)C2CC23CCc2ccccc23)c1
InChIInChI=1S/C20H23N3O3S/c21-10-11-22-27(25,26)16-6-3-5-15(12-16)23-19(24)18-13-20(18)9-8-14-4-1-2-7-17(14)20/h1-7,12,18,22H,8-11,13,21H2,(H,23,24)
InChIKeyIANALWHFEHMLEU-UHFFFAOYSA-N
XLogP1.77
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]cyclobutanecarboxamide;hydrochloride
CID 119465742
3-methylsulfonyl-5-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)benzoic acid
CID 120688204
N-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119419726
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide
CID 119465253
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 119466051
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 119465831
(4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119465982
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
N-[3-(2-aminoethylsulfamoyl)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 119466007
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119465724
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119466084
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119465816

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide (CID 119465619) is N-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide is NCCNS(=O)(=O)c1cccc(NC(=O)C2CC23CCc2ccccc23)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The InChIKey is IANALWHFEHMLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c21-10-11-22-27(25,26)16-6-3-5-15(12-16)23-19(24)18-13-20(18)9-8-14-4-1-2-7-17(14)20/h1-7,12,18,22H,8-11,13,21H2,(H,23,24).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 119465619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).