N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)benzamide

C24H30N2O6S — CID 24633586

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C24H30N2O6S/c1-30-23-11-10-21(33(28,29)26-12-3-2-4-13-26)16-22(23)25-24(27)18-7-5-8-19(15-18)32-17-20-9-6-14-31-20/h5,7-8,10-11,15-16,20H,2-4,6,9,12-14,17H2,1H3,(H,25,27)
InChIKeyBPRGAPQCEUDEOM-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.68
Rot. Bonds8

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)benzamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 24633586) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID24633586
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C24H30N2O6S/c1-30-23-11-10-21(33(28,29)26-12-3-2-4-13-26)16-22(23)25-24(27)18-7-5-8-19(15-18)32-17-20-9-6-14-31-20/h5,7-8,10-11,15-16,20H,2-4,6,9,12-14,17H2,1H3,(H,25,27)
InChIKeyBPRGAPQCEUDEOM-UHFFFAOYSA-N
XLogP3.68
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4312919
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 42993641
methyl 2-[3-[[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]carbamoyl]phenoxy]acetate
CID 55883959
1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 8660108
3-(azepan-1-ylsulfonyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 9098514
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide
CID 26848789
3-(dimethylamino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7892910
1-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 100567444
4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4314126
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide
CID 3665512
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196569

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)benzamide (CID 24633586) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)benzamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is BPRGAPQCEUDEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-30-23-11-10-21(33(28,29)26-12-3-2-4-13-26)16-22(23)25-24(27)18-7-5-8-19(15-18)32-17-20-9-6-14-31-20/h5,7-8,10-11,15-16,20H,2-4,6,9,12-14,17H2,1H3,(H,25,27).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)benzamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 474.58 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 24633586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).