[2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone

C23H30N4O4S — CID 3245341

IUPAC[2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H30N4O4S/c1-18-4-10-21(11-5-18)32(29,30)27-13-12-26(23(28)25-14-16-31-17-15-25)22(27)19-6-8-20(9-7-19)24(2)3/h4-11,22H,12-17H2,1-3H3
InChIKeyQAPCXXAXTDYWGN-UHFFFAOYSA-N
MW458.58 g/mol
LogP2.52
Rot. Bonds4

About [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone

[2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 3245341) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID3245341
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC Name[2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H30N4O4S/c1-18-4-10-21(11-5-18)32(29,30)27-13-12-26(23(28)25-14-16-31-17-15-25)22(27)19-6-8-20(9-7-19)24(2)3/h4-11,22H,12-17H2,1-3H3
InChIKeyQAPCXXAXTDYWGN-UHFFFAOYSA-N
XLogP2.52
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone (CID 3245341) is [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is QAPCXXAXTDYWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-18-4-10-21(11-5-18)32(29,30)27-13-12-26(23(28)25-14-16-31-17-15-25)22(27)19-6-8-20(9-7-19)24(2)3/h4-11,22H,12-17H2,1-3H3.
What are the key properties of [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
[2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 458.58 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3245341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).