N-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide

C20H30FN3O5S — CID 135198126

IUPACN-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESC[C@H](NS(=O)(=O)CCCCCN1CC(=O)NC1O)c1cc(OCC2CC2)ccc1F
InChIInChI=1S/C20H30FN3O5S/c1-14(17-11-16(7-8-18(17)21)29-13-15-5-6-15)23-30(27,28)10-4-2-3-9-24-12-19(25)22-20(24)26/h7-8,11,14-15,20,23,26H,2-6,9-10,12-13H2,1H3,(H,22,25)/t14-,20?/m0/s1
InChIKeyGNAFGEQOBPFKOI-PVCZSOGJSA-N
MW443.54 g/mol
LogP1.47
Rot. Bonds12

About N-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide

N-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide (PubChem CID 135198126) has the molecular formula C20H30FN3O5S and a molecular weight of 443.54 g/mol. Its IUPAC name is N-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide
PubChem CID135198126
Molecular FormulaC20H30FN3O5S
Molecular Weight443.54 g/mol
Exact Mass443.19
IUPAC NameN-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESC[C@H](NS(=O)(=O)CCCCCN1CC(=O)NC1O)c1cc(OCC2CC2)ccc1F
InChIInChI=1S/C20H30FN3O5S/c1-14(17-11-16(7-8-18(17)21)29-13-15-5-6-15)23-30(27,28)10-4-2-3-9-24-12-19(25)22-20(24)26/h7-8,11,14-15,20,23,26H,2-6,9-10,12-13H2,1H3,(H,22,25)/t14-,20?/m0/s1
InChIKeyGNAFGEQOBPFKOI-PVCZSOGJSA-N
XLogP1.47
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[5-[[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]sulfamoyl]pentylamino]acetate
CID 135198103
1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one
CID 135197979
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(5-hydroxy-3-oxo-1,2,4-triazolidin-1-yl)pentane-1-sulfonamide
CID 135198079
N-[(1R)-1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 148944581
3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid
CID 134544015
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide
CID 155347003
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370251
1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one
CID 134553623
N-[(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 146228258
N-[(R)-[3-(cyclopropylmethoxy)-4-fluorophenyl]-(1-methylazetidin-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370104
N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370092
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(5-oxo-1,4-dihydropyrazol-3-yl)pentane-1-sulfonamide
CID 155370144

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide (CID 135198126) is N-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide is C[C@H](NS(=O)(=O)CCCCCN1CC(=O)NC1O)c1cc(OCC2CC2)ccc1F.
What is the InChIKey of N-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide?
The InChIKey is GNAFGEQOBPFKOI-PVCZSOGJSA-N. The full InChI is InChI=1S/C20H30FN3O5S/c1-14(17-11-16(7-8-18(17)21)29-13-15-5-6-15)23-30(27,28)10-4-2-3-9-24-12-19(25)22-20(24)26/h7-8,11,14-15,20,23,26H,2-6,9-10,12-13H2,1H3,(H,22,25)/t14-,20?/m0/s1.
What are the key properties of N-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide?
N-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide has a molecular weight of 443.54 g/mol, XLogP of 1.47, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 135198126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).