N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide

C21H24FN3O6S — CID 155370072

IUPACN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CCc1cc(N2CC(=O)NC2=O)co1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C21H24FN3O6S/c1-13(15-4-5-18(22)19(8-15)31-11-14-2-3-14)24-32(28,29)7-6-17-9-16(12-30-17)25-10-20(26)23-21(25)27/h4-5,8-9,12-14,24H,2-3,6-7,10-11H2,1H3,(H,23,26,27)/t13-/m1/s1
InChIKeyWDKFEQZGYJMPBQ-CYBMUJFWSA-N
MW465.50 g/mol
LogP2.49
Rot. Bonds10

About N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide

N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide (PubChem CID 155370072) has the molecular formula C21H24FN3O6S and a molecular weight of 465.50 g/mol. Its IUPAC name is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide
PubChem CID155370072
Molecular FormulaC21H24FN3O6S
Molecular Weight465.50 g/mol
Exact Mass465.14
IUPAC NameN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CCc1cc(N2CC(=O)NC2=O)co1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C21H24FN3O6S/c1-13(15-4-5-18(22)19(8-15)31-11-14-2-3-14)24-32(28,29)7-6-17-9-16(12-30-17)25-10-20(26)23-21(25)27/h4-5,8-9,12-14,24H,2-3,6-7,10-11H2,1H3,(H,23,26,27)/t13-/m1/s1
InChIKeyWDKFEQZGYJMPBQ-CYBMUJFWSA-N
XLogP2.49
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide?
The IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide (CID 155370072) is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide is C[C@@H](NS(=O)(=O)CCc1cc(N2CC(=O)NC2=O)co1)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide?
The InChIKey is WDKFEQZGYJMPBQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H24FN3O6S/c1-13(15-4-5-18(22)19(8-15)31-11-14-2-3-14)24-32(28,29)7-6-17-9-16(12-30-17)25-10-20(26)23-21(25)27/h4-5,8-9,12-14,24H,2-3,6-7,10-11H2,1H3,(H,23,26,27)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide?
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide has a molecular weight of 465.50 g/mol, XLogP of 2.49, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[4-(2,4-dioxoimidazolidin-1-yl)furan-2-yl]ethanesulfonamide is sourced from PubChem (CID 155370072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).