N-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide

C25H27NO7S2 — CID 21035273

IUPACN-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1ccc(S(=O)(=O)c2ccc(OC)cc2S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H27NO7S2/c1-5-25(27)26-17(2)18-6-11-21(12-7-18)34(28,29)23-15-10-20(33-4)16-24(23)35(30,31)22-13-8-19(32-3)9-14-22/h6-17H,5H2,1-4H3,(H,26,27)
InChIKeyFXCBZFWKYXJOSC-UHFFFAOYSA-N
MW517.63 g/mol
LogP3.96
Rot. Bonds9

About N-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide

N-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide (PubChem CID 21035273) has the molecular formula C25H27NO7S2 and a molecular weight of 517.63 g/mol. Its IUPAC name is N-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide.

Molecular Properties

Compound NameN-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide
PubChem CID21035273
Molecular FormulaC25H27NO7S2
Molecular Weight517.63 g/mol
Exact Mass517.12
IUPAC NameN-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1ccc(S(=O)(=O)c2ccc(OC)cc2S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H27NO7S2/c1-5-25(27)26-17(2)18-6-11-21(12-7-18)34(28,29)23-15-10-20(33-4)16-24(23)35(30,31)22-13-8-19(32-3)9-14-22/h6-17H,5H2,1-4H3,(H,26,27)
InChIKeyFXCBZFWKYXJOSC-UHFFFAOYSA-N
XLogP3.96
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.63
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 26958270
2,2,2-trifluoro-N-[(1S)-1-[4-[2-[(2E,4Z)-2-fluorohexa-2,4-dienyl]sulfonyl-4-methoxyphenyl]sulfonylphenyl]ethyl]acetamide
CID 162579467
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298
2-[ethylsulfonyl(methyl)amino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 133255493
2-[ethylsulfonyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 100784769
N-benzyl-1-[4-[2-(2-fluorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]ethanamine
CID 21035279
2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40720374
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 125058379
2-[ethyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28547067

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide?
The IUPAC name of N-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide (CID 21035273) is N-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide.
What is the SMILES notation for N-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide?
The canonical SMILES for N-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide is CCC(=O)NC(C)c1ccc(S(=O)(=O)c2ccc(OC)cc2S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide?
The InChIKey is FXCBZFWKYXJOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO7S2/c1-5-25(27)26-17(2)18-6-11-21(12-7-18)34(28,29)23-15-10-20(33-4)16-24(23)35(30,31)22-13-8-19(32-3)9-14-22/h6-17H,5H2,1-4H3,(H,26,27).
What are the key properties of N-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide?
N-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide has a molecular weight of 517.63 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide is sourced from PubChem (CID 21035273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).