N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide

C21H24FN5O5S — CID 155370165

IUPACN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)Cc1nccc(CN2CC(=O)NC2=O)n1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C21H24FN5O5S/c1-13(15-4-5-17(22)18(8-15)32-11-14-2-3-14)26-33(30,31)12-19-23-7-6-16(24-19)9-27-10-20(28)25-21(27)29/h4-8,13-14,26H,2-3,9-12H2,1H3,(H,25,28,29)/t13-/m1/s1
InChIKeyJSVZKGNSFJCHGP-CYBMUJFWSA-N
MW477.52 g/mol
LogP1.64
Rot. Bonds10

About N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide

N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide (PubChem CID 155370165) has the molecular formula C21H24FN5O5S and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide
PubChem CID155370165
Molecular FormulaC21H24FN5O5S
Molecular Weight477.52 g/mol
Exact Mass477.15
IUPAC NameN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)Cc1nccc(CN2CC(=O)NC2=O)n1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C21H24FN5O5S/c1-13(15-4-5-17(22)18(8-15)32-11-14-2-3-14)26-33(30,31)12-19-23-7-6-16(24-19)9-27-10-20(28)25-21(27)29/h4-8,13-14,26H,2-3,9-12H2,1H3,(H,25,28,29)/t13-/m1/s1
InChIKeyJSVZKGNSFJCHGP-CYBMUJFWSA-N
XLogP1.64
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide?
The IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide (CID 155370165) is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide?
The canonical SMILES for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide is C[C@@H](NS(=O)(=O)Cc1nccc(CN2CC(=O)NC2=O)n1)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide?
The InChIKey is JSVZKGNSFJCHGP-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H24FN5O5S/c1-13(15-4-5-17(22)18(8-15)32-11-14-2-3-14)26-33(30,31)12-19-23-7-6-16(24-19)9-27-10-20(28)25-21(27)29/h4-8,13-14,26H,2-3,9-12H2,1H3,(H,25,28,29)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide?
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide has a molecular weight of 477.52 g/mol, XLogP of 1.64, 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]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide is sourced from PubChem (CID 155370165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).