1-fluoro-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide

C20H24FN3O5S — CID 45484117

IUPAC1-fluoro-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
SMILESCOc1ccc(CCN2C(=O)N(NS(=O)(=O)CF)C[C@@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24FN3O5S/c1-28-17-7-3-15(4-8-17)11-12-23-19(16-5-9-18(29-2)10-6-16)13-24(20(23)25)22-30(26,27)14-21/h3-10,19,22H,11-14H2,1-2H3/t19-/m1/s1
InChIKeyWQVHBDVXSWFOPB-LJQANCHMSA-N
MW437.49 g/mol
LogP2.49
Rot. Bonds9

About 1-fluoro-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide

1-fluoro-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide (PubChem CID 45484117) has the molecular formula C20H24FN3O5S and a molecular weight of 437.49 g/mol. Its IUPAC name is 1-fluoro-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide.

Molecular Properties

Compound Name1-fluoro-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
PubChem CID45484117
Molecular FormulaC20H24FN3O5S
Molecular Weight437.49 g/mol
Exact Mass437.14
IUPAC Name1-fluoro-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
SMILESCOc1ccc(CCN2C(=O)N(NS(=O)(=O)CF)C[C@@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24FN3O5S/c1-28-17-7-3-15(4-8-17)11-12-23-19(16-5-9-18(29-2)10-6-16)13-24(20(23)25)22-30(26,27)14-21/h3-10,19,22H,11-14H2,1-2H3/t19-/m1/s1
InChIKeyWQVHBDVXSWFOPB-LJQANCHMSA-N
XLogP2.49
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The IUPAC name of 1-fluoro-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide (CID 45484117) is 1-fluoro-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide.
What is the SMILES notation for 1-fluoro-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The canonical SMILES for 1-fluoro-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide is COc1ccc(CCN2C(=O)N(NS(=O)(=O)CF)C[C@@H]2c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-fluoro-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The InChIKey is WQVHBDVXSWFOPB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24FN3O5S/c1-28-17-7-3-15(4-8-17)11-12-23-19(16-5-9-18(29-2)10-6-16)13-24(20(23)25)22-30(26,27)14-21/h3-10,19,22H,11-14H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-fluoro-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
1-fluoro-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide has a molecular weight of 437.49 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide is sourced from PubChem (CID 45484117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).