N-(4-ethylphenyl)-2-methoxy-5-[3-(oxolan-2-yl)morpholine-4-carbonyl]benzenesulfonamide

C24H30N2O6S — CID 166402503

IUPACN-(4-ethylphenyl)-2-methoxy-5-[3-(oxolan-2-yl)morpholine-4-carbonyl]benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCOCC3C3CCCO3)ccc2OC)cc1
InChIInChI=1S/C24H30N2O6S/c1-3-17-6-9-19(10-7-17)25-33(28,29)23-15-18(8-11-22(23)30-2)24(27)26-12-14-31-16-20(26)21-5-4-13-32-21/h6-11,15,20-21,25H,3-5,12-14,16H2,1-2H3
InChIKeyJXEKIEKHPLLDAN-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.08
Rot. Bonds7

About N-(4-ethylphenyl)-2-methoxy-5-[3-(oxolan-2-yl)morpholine-4-carbonyl]benzenesulfonamide

N-(4-ethylphenyl)-2-methoxy-5-[3-(oxolan-2-yl)morpholine-4-carbonyl]benzenesulfonamide (PubChem CID 166402503) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-methoxy-5-[3-(oxolan-2-yl)morpholine-4-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-methoxy-5-[3-(oxolan-2-yl)morpholine-4-carbonyl]benzenesulfonamide
PubChem CID166402503
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC NameN-(4-ethylphenyl)-2-methoxy-5-[3-(oxolan-2-yl)morpholine-4-carbonyl]benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCOCC3C3CCCO3)ccc2OC)cc1
InChIInChI=1S/C24H30N2O6S/c1-3-17-6-9-19(10-7-17)25-33(28,29)23-15-18(8-11-22(23)30-2)24(27)26-12-14-31-16-20(26)21-5-4-13-32-21/h6-11,15,20-21,25H,3-5,12-14,16H2,1-2H3
InChIKeyJXEKIEKHPLLDAN-UHFFFAOYSA-N
XLogP3.08
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 24537959
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-3-methylsulfonylphenyl)methanone
CID 110633915
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxyphenyl]methanone
CID 55806516
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 17439024
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-bromo-4-methoxyphenyl)methanone
CID 61344966
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(3,4-diethoxyphenyl)methanone
CID 60557376
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 24538441
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methylphenyl)benzamide
CID 26537931
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 17489130
N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide
CID 24660944
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 37244496
2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 24660961

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-methoxy-5-[3-(oxolan-2-yl)morpholine-4-carbonyl]benzenesulfonamide?
The IUPAC name of N-(4-ethylphenyl)-2-methoxy-5-[3-(oxolan-2-yl)morpholine-4-carbonyl]benzenesulfonamide (CID 166402503) is N-(4-ethylphenyl)-2-methoxy-5-[3-(oxolan-2-yl)morpholine-4-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-methoxy-5-[3-(oxolan-2-yl)morpholine-4-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-2-methoxy-5-[3-(oxolan-2-yl)morpholine-4-carbonyl]benzenesulfonamide is CCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCOCC3C3CCCO3)ccc2OC)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-methoxy-5-[3-(oxolan-2-yl)morpholine-4-carbonyl]benzenesulfonamide?
The InChIKey is JXEKIEKHPLLDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-3-17-6-9-19(10-7-17)25-33(28,29)23-15-18(8-11-22(23)30-2)24(27)26-12-14-31-16-20(26)21-5-4-13-32-21/h6-11,15,20-21,25H,3-5,12-14,16H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-2-methoxy-5-[3-(oxolan-2-yl)morpholine-4-carbonyl]benzenesulfonamide?
N-(4-ethylphenyl)-2-methoxy-5-[3-(oxolan-2-yl)morpholine-4-carbonyl]benzenesulfonamide has a molecular weight of 474.58 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-methoxy-5-[3-(oxolan-2-yl)morpholine-4-carbonyl]benzenesulfonamide is sourced from PubChem (CID 166402503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).