(Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium

C23H31N5O5S — CID 17052249

IUPAC(Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium
SMILESCCN(CC)c1ccc(C2N(C(=O)C/[N+]([O-])=N/OC)C(C)CN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H31N5O5S/c1-5-25(6-2)20-14-12-19(13-15-20)23-26(34(31,32)21-10-8-7-9-11-21)16-18(3)28(23)22(29)17-27(30)24-33-4/h7-15,18,23H,5-6,16-17H2,1-4H3/b27-24-
InChIKeyIQZNPWMFCLMNHA-PNHLSOANSA-N
MW489.60 g/mol
LogP2.98
Rot. Bonds9

About (Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium

(Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium (PubChem CID 17052249) has the molecular formula C23H31N5O5S and a molecular weight of 489.60 g/mol. Its IUPAC name is (Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium.

Molecular Properties

Compound Name(Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium
PubChem CID17052249
Molecular FormulaC23H31N5O5S
Molecular Weight489.60 g/mol
Exact Mass489.20
IUPAC Name(Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium
SMILESCCN(CC)c1ccc(C2N(C(=O)C/[N+]([O-])=N/OC)C(C)CN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H31N5O5S/c1-5-25(6-2)20-14-12-19(13-15-20)23-26(34(31,32)21-10-8-7-9-11-21)16-18(3)28(23)22(29)17-27(30)24-33-4/h7-15,18,23H,5-6,16-17H2,1-4H3/b27-24-
InChIKeyIQZNPWMFCLMNHA-PNHLSOANSA-N
XLogP2.98
TPSA108.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-[2-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonyl-1,3-diazinan-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium
CID 17052288
1-[2-[4-(diethylamino)phenyl]-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
CID 17371198
(Z)-methoxyimino-[2-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-oxoethyl]-oxidoazanium
CID 17052238
2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone
CID 17371182
1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one
CID 29057081
(Z)-[2-[3-(benzenesulfonyl)-2-(2,4-dichlorophenyl)imidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium
CID 17052258
1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
CID 2899171
4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline
CID 17371195
(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine
CID 28887671
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one
CID 6935280
1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone
CID 17371151
(Z)-methoxyimino-[2-[3-(4-methylphenyl)sulfonyl-1,3-diazinan-1-yl]-2-oxoethyl]-oxidoazanium
CID 17052280

Frequently Asked Questions

What is the IUPAC name of (Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium?
The IUPAC name of (Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium (CID 17052249) is (Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium.
What is the SMILES notation for (Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium?
The canonical SMILES for (Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium is CCN(CC)c1ccc(C2N(C(=O)C/[N+]([O-])=N/OC)C(C)CN2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium?
The InChIKey is IQZNPWMFCLMNHA-PNHLSOANSA-N. The full InChI is InChI=1S/C23H31N5O5S/c1-5-25(6-2)20-14-12-19(13-15-20)23-26(34(31,32)21-10-8-7-9-11-21)16-18(3)28(23)22(29)17-27(30)24-33-4/h7-15,18,23H,5-6,16-17H2,1-4H3/b27-24-.
What are the key properties of (Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium?
(Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium has a molecular weight of 489.60 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium is sourced from PubChem (CID 17052249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).