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

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

N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-oxazol-2-yl]methanesulfonamide (PubChem CID 155370215) has the molecular formula C20H23FN4O6S and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-oxazol-2-yl]methanesulfonamide.

Molecular Properties

Compound Name	N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-oxazol-2-yl]methanesulfonamide
PubChem CID	155370215
Molecular Formula	C20H23FN4O6S
Molecular Weight	466.49 g/mol
Exact Mass	466.13
IUPAC Name	N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-oxazol-2-yl]methanesulfonamide
SMILES	C[C@@H](NS(=O)(=O)Cc1nc(CN2CC(=O)NC2=O)co1)c1ccc(F)c(OCC2CC2)c1
InChI	InChI=1S/C20H23FN4O6S/c1-12(14-4-5-16(21)17(6-14)30-9-13-2-3-13)24-32(28,29)11-19-22-15(10-31-19)7-25-8-18(26)23-20(25)27/h4-6,10,12-13,24H,2-3,7-9,11H2,1H3,(H,23,26,27)/t12-/m1/s1
InChIKey	PYUQZTIBMHHRKH-GFCCVEGCSA-N
XLogP	1.83
TPSA	130.84 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	10
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.49
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

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]-1,3-oxazol-2-yl]methanesulfonamide?

The IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-oxazol-2-yl]methanesulfonamide (CID 155370215) is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-oxazol-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]-1,3-oxazol-2-yl]methanesulfonamide?

The canonical SMILES for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-oxazol-2-yl]methanesulfonamide is C[C@@H](NS(=O)(=O)Cc1nc(CN2CC(=O)NC2=O)co1)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]-1,3-oxazol-2-yl]methanesulfonamide?

The InChIKey is PYUQZTIBMHHRKH-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H23FN4O6S/c1-12(14-4-5-16(21)17(6-14)30-9-13-2-3-13)24-32(28,29)11-19-22-15(10-31-19)7-25-8-18(26)23-20(25)27/h4-6,10,12-13,24H,2-3,7-9,11H2,1H3,(H,23,26,27)/t12-/m1/s1.

What are the key properties of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-oxazol-2-yl]methanesulfonamide?

N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-oxazol-2-yl]methanesulfonamide has a molecular weight of 466.49 g/mol, XLogP of 1.83, 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]-1,3-oxazol-2-yl]methanesulfonamide is sourced from PubChem (CID 155370215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).