N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide

C26H27NO5S — CID 3256262

IUPACN-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide
SMILESCCC(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C26H27NO5S/c1-4-17(5-2)33(29,30)18-14-15-24(31-3)21(16-18)27-26(28)25-19-10-6-8-12-22(19)32-23-13-9-7-11-20(23)25/h6-17,25H,4-5H2,1-3H3,(H,27,28)
InChIKeyNTIQZUXQJBBWRH-UHFFFAOYSA-N
MW465.57 g/mol
LogP5.53
Rot. Bonds7

About N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide

N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide (PubChem CID 3256262) has the molecular formula C26H27NO5S and a molecular weight of 465.57 g/mol. Its IUPAC name is N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide
PubChem CID3256262
Molecular FormulaC26H27NO5S
Molecular Weight465.57 g/mol
Exact Mass465.16
IUPAC NameN-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide
SMILESCCC(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C26H27NO5S/c1-4-17(5-2)33(29,30)18-14-15-24(31-3)21(16-18)27-26(28)25-19-10-6-8-12-22(19)32-23-13-9-7-11-20(23)25/h6-17,25H,4-5H2,1-3H3,(H,27,28)
InChIKeyNTIQZUXQJBBWRH-UHFFFAOYSA-N
XLogP5.53
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.57
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide
CID 3270673
3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
CID 3256259
3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
CID 5170083
3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
CID 5194496
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3162267
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 1246375
N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669612
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 9194243
N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-2-methyl-3,5-dinitrobenzamide
CID 3294129
N-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 742969
N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide
CID 669610
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8777670

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide (CID 3256262) is N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide is CCC(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide?
The InChIKey is NTIQZUXQJBBWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5S/c1-4-17(5-2)33(29,30)18-14-15-24(31-3)21(16-18)27-26(28)25-19-10-6-8-12-22(19)32-23-13-9-7-11-20(23)25/h6-17,25H,4-5H2,1-3H3,(H,27,28).
What are the key properties of N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide?
N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide has a molecular weight of 465.57 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 3256262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).