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

C20H24FN5O5S — CID 134542975

IUPACN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[3-(2,4-dioxoimidazolidin-1-yl)pyrazol-1-yl]ethanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CCn1ccc(N2CC(=O)NC2=O)n1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C20H24FN5O5S/c1-13(15-4-5-16(21)17(10-15)31-12-14-2-3-14)24-32(29,30)9-8-25-7-6-18(23-25)26-11-19(27)22-20(26)28/h4-7,10,13-14,24H,2-3,8-9,11-12H2,1H3,(H,22,27,28)/t13-/m1/s1
InChIKeyVJQKBKWDLFOZAZ-CYBMUJFWSA-N
MW465.51 g/mol
LogP1.55
Rot. Bonds10

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

N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[3-(2,4-dioxoimidazolidin-1-yl)pyrazol-1-yl]ethanesulfonamide (PubChem CID 134542975) has the molecular formula C20H24FN5O5S and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[3-(2,4-dioxoimidazolidin-1-yl)pyrazol-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[3-(2,4-dioxoimidazolidin-1-yl)pyrazol-1-yl]ethanesulfonamide
PubChem CID134542975
Molecular FormulaC20H24FN5O5S
Molecular Weight465.51 g/mol
Exact Mass465.15
IUPAC NameN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[3-(2,4-dioxoimidazolidin-1-yl)pyrazol-1-yl]ethanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CCn1ccc(N2CC(=O)NC2=O)n1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C20H24FN5O5S/c1-13(15-4-5-16(21)17(10-15)31-12-14-2-3-14)24-32(29,30)9-8-25-7-6-18(23-25)26-11-19(27)22-20(26)28/h4-7,10,13-14,24H,2-3,8-9,11-12H2,1H3,(H,22,27,28)/t13-/m1/s1
InChIKeyVJQKBKWDLFOZAZ-CYBMUJFWSA-N
XLogP1.55
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 21848675
(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-[3-(3-cyclopropyl-2-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methylpentanamide
CID 57920067
N-(2-ethylpyrazol-3-yl)-2-ethylsulfonyl-2-[(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide
CID 67595789
1-tert-butylsulfonyl-5-[(2R)-2-[2-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole
CID 89618741
2-(3-aminopyrazol-1-yl)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide
CID 134542886
2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide
CID 134542887
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[3-(2,4-dioxoimidazolidin-1-yl)pyrazol-1-yl]ethanesulfonamide
CID 134542979
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-(3-nitropyrazol-1-yl)ethanesulfonamide
CID 134543733
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-(3-nitropyrazol-1-yl)ethanesulfonamide
CID 134543735
1-[5-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]-4-sulfanylideneimidazolidin-2-one
CID 134553562
N-[1-[4-[[3-(1,1-dioxothian-4-yl)oxy-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide
CID 135332077
N-[1-[1-[[3-(1,1-dioxothian-4-yl)oxy-5-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
CID 135332132

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[3-(2,4-dioxoimidazolidin-1-yl)pyrazol-1-yl]ethanesulfonamide?
The IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[3-(2,4-dioxoimidazolidin-1-yl)pyrazol-1-yl]ethanesulfonamide (CID 134542975) is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[3-(2,4-dioxoimidazolidin-1-yl)pyrazol-1-yl]ethanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[3-(2,4-dioxoimidazolidin-1-yl)pyrazol-1-yl]ethanesulfonamide?
The canonical SMILES for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[3-(2,4-dioxoimidazolidin-1-yl)pyrazol-1-yl]ethanesulfonamide is C[C@@H](NS(=O)(=O)CCn1ccc(N2CC(=O)NC2=O)n1)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[3-(2,4-dioxoimidazolidin-1-yl)pyrazol-1-yl]ethanesulfonamide?
The InChIKey is VJQKBKWDLFOZAZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24FN5O5S/c1-13(15-4-5-16(21)17(10-15)31-12-14-2-3-14)24-32(29,30)9-8-25-7-6-18(23-25)26-11-19(27)22-20(26)28/h4-7,10,13-14,24H,2-3,8-9,11-12H2,1H3,(H,22,27,28)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[3-(2,4-dioxoimidazolidin-1-yl)pyrazol-1-yl]ethanesulfonamide?
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[3-(2,4-dioxoimidazolidin-1-yl)pyrazol-1-yl]ethanesulfonamide has a molecular weight of 465.51 g/mol, XLogP of 1.55, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[3-(2,4-dioxoimidazolidin-1-yl)pyrazol-1-yl]ethanesulfonamide is sourced from PubChem (CID 134542975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).