[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate

C24H29NO5S — CID 4210675

IUPAC[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1C
InChIInChI=1S/C24H29NO5S/c1-17-8-13-22(14-18(17)2)31(28,29)25-15-24(27)30-16-23(26)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h8-14,19,25H,3-7,15-16H2,1-2H3
InChIKeySRVXVCBNEKXHLV-UHFFFAOYSA-N
MW443.57 g/mol
LogP4.06
Rot. Bonds8

About [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate

[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate (PubChem CID 4210675) has the molecular formula C24H29NO5S and a molecular weight of 443.57 g/mol. Its IUPAC name is [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
PubChem CID4210675
Molecular FormulaC24H29NO5S
Molecular Weight443.57 g/mol
Exact Mass443.18
IUPAC Name[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1C
InChIInChI=1S/C24H29NO5S/c1-17-8-13-22(14-18(17)2)31(28,29)25-15-24(27)30-16-23(26)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h8-14,19,25H,3-7,15-16H2,1-2H3
InChIKeySRVXVCBNEKXHLV-UHFFFAOYSA-N
XLogP4.06
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-Dimethylphenyl)-2-oxoethyl [(phenylsulfonyl)amino]acetate
CID 1613180
2-(4-Fluorophenyl)-2-oxoethyl [(phenylsulfonyl)amino]acetate
CID 1620317
2-oxo-1,2-diphenylethyl N-[(4-methylphenyl)sulfonyl]glycinate
CID 2934405
(1-Oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3442790
[1-(4-Ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 5038753
[2-(4-Methylphenyl)-2-oxoethyl] 3-[(2-fluorophenyl)sulfonylamino]propanoate
CID 2404173
[2-(4-Methylphenyl)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 2355596
2-(4-methylphenyl)-2-oxo-1-phenylethyl N-(phenylsulfonyl)glycinate
CID 2926309
1-Benzoylpropyl [(phenylsulfonyl)amino]acetate
CID 3835905
[2-Oxo-2-(4-propan-2-ylphenyl)ethyl] 4-methylsulfanyl-2-(naphthalen-2-ylsulfonylamino)butanoate
CID 4967967
[2-Oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 25163196
2-(4-methylphenyl)-2-oxoethyl N-[(4-methylphenyl)sulfonyl]glycinate
CID 1620052

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate (CID 4210675) is [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1C.
What is the InChIKey of [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The InChIKey is SRVXVCBNEKXHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5S/c1-17-8-13-22(14-18(17)2)31(28,29)25-15-24(27)30-16-23(26)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h8-14,19,25H,3-7,15-16H2,1-2H3.
What are the key properties of [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate has a molecular weight of 443.57 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 4210675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).