3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide

C18H19F2N3O3S — CID 123767879

IUPAC3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide
SMILESNC(CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CCc2cc(F)c(F)cc21
InChIInChI=1S/C18H19F2N3O3S/c19-15-6-10-4-5-13(14(10)8-16(15)20)17(21)9-18(24)23-11-2-1-3-12(7-11)27(22,25)26/h1-3,6-8,13,17H,4-5,9,21H2,(H,23,24)(H2,22,25,26)
InChIKeyVLMLMDPSWSCFPH-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.00
Rot. Bonds5

About 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide

3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide (PubChem CID 123767879) has the molecular formula C18H19F2N3O3S and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide
PubChem CID123767879
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.43 g/mol
Exact Mass395.11
IUPAC Name3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide
SMILESNC(CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CCc2cc(F)c(F)cc21
InChIInChI=1S/C18H19F2N3O3S/c19-15-6-10-4-5-13(14(10)8-16(15)20)17(21)9-18(24)23-11-2-1-3-12(7-11)27(22,25)26/h1-3,6-8,13,17H,4-5,9,21H2,(H,23,24)(H2,22,25,26)
InChIKeyVLMLMDPSWSCFPH-UHFFFAOYSA-N
XLogP2.00
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(azetidin-3-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 123815866
3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide
CID 119032493
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
CID 28942449
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 37383510
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 8905201
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
1-[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]-4-oxopyrrolidine-2-carboxamide
CID 123570125
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
2-(1-aminocyclobutyl)-N-(3-sulfamoylphenyl)acetamide
CID 79851568
1-(3a,7a-dihydroindol-1-yl)-3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one
CID 123991646
N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide (CID 123767879) is 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide is NC(CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CCc2cc(F)c(F)cc21.
What is the InChIKey of 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is VLMLMDPSWSCFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S/c19-15-6-10-4-5-13(14(10)8-16(15)20)17(21)9-18(24)23-11-2-1-3-12(7-11)27(22,25)26/h1-3,6-8,13,17H,4-5,9,21H2,(H,23,24)(H2,22,25,26).
What are the key properties of 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide?
3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 395.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 123767879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).