1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone

C19H23N3O3S — CID 17371151

IUPAC1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccccc2)C1c1ccc(N(C)C)cc1
InChIInChI=1S/C19H23N3O3S/c1-15(23)21-13-14-22(26(24,25)18-7-5-4-6-8-18)19(21)16-9-11-17(12-10-16)20(2)3/h4-12,19H,13-14H2,1-3H3
InChIKeyRWWZIAFZRLKSOB-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.30
Rot. Bonds4

About 1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone

1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone (PubChem CID 17371151) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone
PubChem CID17371151
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccccc2)C1c1ccc(N(C)C)cc1
InChIInChI=1S/C19H23N3O3S/c1-15(23)21-13-14-22(26(24,25)18-7-5-4-6-8-18)19(21)16-9-11-17(12-10-16)20(2)3/h4-12,19H,13-14H2,1-3H3
InChIKeyRWWZIAFZRLKSOB-UHFFFAOYSA-N
XLogP2.30
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone
CID 742548
[(2S)-2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-phenylmethanone
CID 41354402
(NE)-N-[1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethylidene]-4-methylbenzenesulfonamide
CID 46500087
1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
CID 2899171
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one
CID 6935280
3-(4-chlorophenyl)sulfonyl-N,N-dimethyl-2-phenylimidazolidine-1-carboxamide
CID 17340702
4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline
CID 17371195
[(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)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide
CID 7443073
4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethylidene]benzenesulfonamide
CID 4679193
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone (CID 17371151) is 1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2ccccc2)C1c1ccc(N(C)C)cc1.
What is the InChIKey of 1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone?
The InChIKey is RWWZIAFZRLKSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15(23)21-13-14-22(26(24,25)18-7-5-4-6-8-18)19(21)16-9-11-17(12-10-16)20(2)3/h4-12,19H,13-14H2,1-3H3.
What are the key properties of 1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone?
1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone has a molecular weight of 373.48 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone is sourced from PubChem (CID 17371151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).