3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid

C21H28FN3O7S — CID 134544015

IUPAC3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid
SMILESC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)N(C(=O)O)C1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C21H28FN3O7S/c1-14(16-7-8-17(22)18(11-16)32-13-15-5-6-15)23-33(30,31)10-4-2-3-9-24-12-19(26)25(20(24)27)21(28)29/h7-8,11,14-15,23H,2-6,9-10,12-13H2,1H3,(H,28,29)/t14-/m1/s1
InChIKeyJCGFMEYKRVLQQH-CQSZACIVSA-N
MW485.53 g/mol
LogP2.71
Rot. Bonds12

About 3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid

3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid (PubChem CID 134544015) has the molecular formula C21H28FN3O7S and a molecular weight of 485.53 g/mol. Its IUPAC name is 3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid
PubChem CID134544015
Molecular FormulaC21H28FN3O7S
Molecular Weight485.53 g/mol
Exact Mass485.16
IUPAC Name3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid
SMILESC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)N(C(=O)O)C1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C21H28FN3O7S/c1-14(16-7-8-17(22)18(11-16)32-13-15-5-6-15)23-33(30,31)10-4-2-3-9-24-12-19(26)25(20(24)27)21(28)29/h7-8,11,14-15,23H,2-6,9-10,12-13H2,1H3,(H,28,29)/t14-/m1/s1
InChIKeyJCGFMEYKRVLQQH-CQSZACIVSA-N
XLogP2.71
TPSA133.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid?
The IUPAC name of 3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid (CID 134544015) is 3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid.
What is the SMILES notation for 3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid?
The canonical SMILES for 3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid is C[C@@H](NS(=O)(=O)CCCCCN1CC(=O)N(C(=O)O)C1=O)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid?
The InChIKey is JCGFMEYKRVLQQH-CQSZACIVSA-N. The full InChI is InChI=1S/C21H28FN3O7S/c1-14(16-7-8-17(22)18(11-16)32-13-15-5-6-15)23-33(30,31)10-4-2-3-9-24-12-19(26)25(20(24)27)21(28)29/h7-8,11,14-15,23H,2-6,9-10,12-13H2,1H3,(H,28,29)/t14-/m1/s1.
What are the key properties of 3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid?
3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid has a molecular weight of 485.53 g/mol, XLogP of 2.71, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid is sourced from PubChem (CID 134544015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).