1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone

C22H27N3O4S — CID 646974

IUPAC1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2c2ccccc2)cc1
InChIInChI=1S/C22H27N3O4S/c1-18-7-9-20(10-8-18)30(27,28)25-12-11-24(22(25)19-5-3-2-4-6-19)21(26)17-23-13-15-29-16-14-23/h2-10,22H,11-17H2,1H3
InChIKeyXQIQRUSPSNHALZ-UHFFFAOYSA-N
MW429.54 g/mol
LogP1.86
Rot. Bonds5

About 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone

1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 646974) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID646974
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2c2ccccc2)cc1
InChIInChI=1S/C22H27N3O4S/c1-18-7-9-20(10-8-18)30(27,28)25-12-11-24(22(25)19-5-3-2-4-6-19)21(26)17-23-13-15-29-16-14-23/h2-10,22H,11-17H2,1H3
InChIKeyXQIQRUSPSNHALZ-UHFFFAOYSA-N
XLogP1.86
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-Isopropyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-2-morpholin-4-yl-ethanone
CID 654303
N-cyclohexyl-4-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 1154655
N,N-dimethyl-N-{4-[1-[(4-methylphenyl)sulfonyl]-3-(morpholin-4-ylcarbonyl)imidazolidin-2-yl]phenyl}amine
CID 3245341
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 4850617
N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 7388109
{2-[4-(Diethylamino)phenyl]-3-[(4-methylphenyl)sulfonyl]imidazolidin-1-yl}(morpholin-4-yl)methanone
CID 9550939
N-benzyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1340822
N-(Benzylcarbamoyl-methyl)-N-(tetrahydro-furan-2-ylmethyl)-2-(toluene-4-sulfonylamino)-acetamide
CID 645519
1-[3-(4-Methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone
CID 1246518
1-{3-[(4-Methylphenyl)sulfonyl]-2-(propan-2-yl)imidazolidin-1-yl}-2-(piperidin-1-yl)ethanone
CID 3338703
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 4840659
{2,5-Dimethyl-3-[(4-methylphenyl)sulfonyl]imidazolidin-1-yl}(morpholin-4-yl)methanone
CID 6498825

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone (CID 646974) is 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2c2ccccc2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is XQIQRUSPSNHALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-18-7-9-20(10-8-18)30(27,28)25-12-11-24(22(25)19-5-3-2-4-6-19)21(26)17-23-13-15-29-16-14-23/h2-10,22H,11-17H2,1H3.
What are the key properties of 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone?
1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 429.54 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 646974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).