1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone

C22H29N3O3S — CID 2899171

IUPAC1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
SMILESCCN(CC)c1ccc(C2N(C(C)=O)CCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H29N3O3S/c1-5-23(6-2)20-11-9-19(10-12-20)22-24(18(4)26)15-16-25(22)29(27,28)21-13-7-17(3)8-14-21/h7-14,22H,5-6,15-16H2,1-4H3
InChIKeyICZVYHNCKZJOJV-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.39
Rot. Bonds6

About 1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone

1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone (PubChem CID 2899171) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
PubChem CID2899171
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
SMILESCCN(CC)c1ccc(C2N(C(C)=O)CCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H29N3O3S/c1-5-23(6-2)20-11-9-19(10-12-20)22-24(18(4)26)15-16-25(22)29(27,28)21-13-7-17(3)8-14-21/h7-14,22H,5-6,15-16H2,1-4H3
InChIKeyICZVYHNCKZJOJV-UHFFFAOYSA-N
XLogP3.39
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.39
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-[2-[4-(diethylamino)phenyl]-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
CID 17371198
1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone
CID 17371151
(Z)-[2-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonyl-1,3-diazinan-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium
CID 17052288
[(2S)-2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-phenylmethanone
CID 41354402
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone
CID 742548
1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
CID 1093153
(NE)-N-[1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethylidene]-4-methylbenzenesulfonamide
CID 46500087
2-chloro-1-[(2S)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
CID 7355204
4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethylidene]benzenesulfonamide
CID 4679193
1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ium-1-ylethanone
CID 7355252
1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone
CID 3368590
[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonyl-2H-benzimidazol-1-yl]-phenylmethanone
CID 17340817

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone (CID 2899171) is 1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone is CCN(CC)c1ccc(C2N(C(C)=O)CCN2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone?
The InChIKey is ICZVYHNCKZJOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-5-23(6-2)20-11-9-19(10-12-20)22-24(18(4)26)15-16-25(22)29(27,28)21-13-7-17(3)8-14-21/h7-14,22H,5-6,15-16H2,1-4H3.
What are the key properties of 1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone?
1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone has a molecular weight of 415.56 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone is sourced from PubChem (CID 2899171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).