1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one

C18H20N2O3S — CID 6935280

IUPAC1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-2-17(21)19-13-14-20(18(19)15-9-5-3-6-10-15)24(22,23)16-11-7-4-8-12-16/h3-12,18H,2,13-14H2,1H3/t18-/m1/s1
InChIKeyWYNQCCZTTKLXQI-GOSISDBHSA-N
MW344.44 g/mol
LogP2.63
Rot. Bonds4

About 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one

1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one (PubChem CID 6935280) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one
PubChem CID6935280
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-2-17(21)19-13-14-20(18(19)15-9-5-3-6-10-15)24(22,23)16-11-7-4-8-12-16/h3-12,18H,2,13-14H2,1H3/t18-/m1/s1
InChIKeyWYNQCCZTTKLXQI-GOSISDBHSA-N
XLogP2.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone
CID 742548
1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ium-1-ylethanone
CID 7355252
1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone
CID 17371151
(Z)-methoxyimino-[2-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-oxoethyl]-oxidoazanium
CID 17052238
1-[(2R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone
CID 28565527
3-(4-chlorophenyl)sulfonyl-N,N-dimethyl-2-phenylimidazolidine-1-carboxamide
CID 17340702
[(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone
CID 8768152
4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethylidene]benzenesulfonamide
CID 4679193
[(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-(4-methylphenyl)methanone
CID 41354462
(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide
CID 41301101
(2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine
CID 1036909
4-methyl-N-[1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-pyrrolidin-1-ylethylidene]benzenesulfonamide
CID 98138047

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one (CID 6935280) is 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one is CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one?
The InChIKey is WYNQCCZTTKLXQI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-17(21)19-13-14-20(18(19)15-9-5-3-6-10-15)24(22,23)16-11-7-4-8-12-16/h3-12,18H,2,13-14H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one?
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one has a molecular weight of 344.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one is sourced from PubChem (CID 6935280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).