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

C19H29N3O4S — CID 654303

IUPAC1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2C(C)C)cc1
InChIInChI=1S/C19H29N3O4S/c1-15(2)19-21(18(23)14-20-10-12-26-13-11-20)8-9-22(19)27(24,25)17-6-4-16(3)5-7-17/h4-7,15,19H,8-14H2,1-3H3
InChIKeyMIXXHHMUHSWNNM-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.14
Rot. Bonds5

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

1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 654303) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID654303
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2C(C)C)cc1
InChIInChI=1S/C19H29N3O4S/c1-15(2)19-21(18(23)14-20-10-12-26-13-11-20)8-9-22(19)27(24,25)17-6-4-16(3)5-7-17/h4-7,15,19H,8-14H2,1-3H3
InChIKeyMIXXHHMUHSWNNM-UHFFFAOYSA-N
XLogP1.14
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Morpholin-4-yl-1-[2-phenyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-ethanone
CID 646974
4-{2-Oxo-2-[3-(phenylsulfonyl)-1-imidazolidinyl]ethyl}morpholine
CID 747981
N-cyclohexyl-4-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 1154655
4-methyl-N,N-bis[2-(4-morpholinyl)-2-oxoethyl]benzenesulfonamide (non-preferred name)
CID 2204445
1-[5-Methyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-ethanone
CID 3157921
N1-(3-morpholinopropyl)-N2-((3-tosyloxazolidin-2-yl)methyl)oxalamide
CID 16807599
N1-methyl-N2-((3-tosyloxazolidin-2-yl)methyl)oxalamide
CID 18561534
Pyrrolidin-1-yl(4-tosylpiperazin-1-yl)methanone
CID 849899
2-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone
CID 2815599
N-[2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 2961332
2-Morpholin-4-yl-N-[2-(toluene-4-sulfonylamino)-ethyl]-acetamide
CID 3157916
1-{2-Methyl-3-[(4-methylphenyl)sulfonyl]imidazolidin-1-yl}ethanone
CID 4125549

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-morpholin-4-ylethanone (CID 654303) is 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-morpholin-4-ylethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2C(C)C)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is MIXXHHMUHSWNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-15(2)19-21(18(23)14-20-10-12-26-13-11-20)8-9-22(19)27(24,25)17-6-4-16(3)5-7-17/h4-7,15,19H,8-14H2,1-3H3.
What are the key properties of 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-morpholin-4-ylethanone?
1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 395.53 g/mol, XLogP of 1.14, 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-propan-2-ylimidazolidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 654303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).