N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide

C20H23FN2O4S — CID 55953414

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)NCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C20H23FN2O4S/c21-17-5-8-19(9-6-17)28(25,26)23-11-10-20(24)22-12-13-27-18-7-4-15-2-1-3-16(15)14-18/h4-9,14,23H,1-3,10-13H2,(H,22,24)
InChIKeyLYKQDWLIPYSMJX-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.18
Rot. Bonds9

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide (PubChem CID 55953414) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
PubChem CID55953414
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)NCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C20H23FN2O4S/c21-17-5-8-19(9-6-17)28(25,26)23-11-10-20(24)22-12-13-27-18-7-4-15-2-1-3-16(15)14-18/h4-9,14,23H,1-3,10-13H2,(H,22,24)
InChIKeyLYKQDWLIPYSMJX-UHFFFAOYSA-N
XLogP2.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31336412
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide
CID 46461279
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24548368
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
CID 113101493
N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192241
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 47064713
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 32934295
3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101565
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 112994890
N-(cyclopropylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24667154

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide (CID 55953414) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc(F)cc1)NCCOc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is LYKQDWLIPYSMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c21-17-5-8-19(9-6-17)28(25,26)23-11-10-20(24)22-12-13-27-18-7-4-15-2-1-3-16(15)14-18/h4-9,14,23H,1-3,10-13H2,(H,22,24).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 406.48 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55953414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).