N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide

C21H26N2O6S — CID 30545290

IUPACN-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)cc1OC
InChIInChI=1S/C21H26N2O6S/c1-3-28-19-10-9-16(13-20(19)27-2)23-21(24)15-6-4-8-18(12-15)30(25,26)22-14-17-7-5-11-29-17/h4,6,8-10,12-13,17,22H,3,5,7,11,14H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyVKDPJKFOGBORPE-QGZVFWFLSA-N
MW434.51 g/mol
LogP2.80
Rot. Bonds9

About N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide

N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide (PubChem CID 30545290) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
PubChem CID30545290
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC NameN-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)cc1OC
InChIInChI=1S/C21H26N2O6S/c1-3-28-19-10-9-16(13-20(19)27-2)23-21(24)15-6-4-8-18(12-15)30(25,26)22-14-17-7-5-11-29-17/h4,6,8-10,12-13,17,22H,3,5,7,11,14H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyVKDPJKFOGBORPE-QGZVFWFLSA-N
XLogP2.80
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43057770
N-(4-bromo-3-methylphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646358
N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24644972
3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3930366
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915
N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46539920
N-[2-ethoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 6458754
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide
CID 24571136
3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 25399450

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The IUPAC name of N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide (CID 30545290) is N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide.
What is the SMILES notation for N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The canonical SMILES for N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide is CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)cc1OC.
What is the InChIKey of N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The InChIKey is VKDPJKFOGBORPE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-3-28-19-10-9-16(13-20(19)27-2)23-21(24)15-6-4-8-18(12-15)30(25,26)22-14-17-7-5-11-29-17/h4,6,8-10,12-13,17,22H,3,5,7,11,14H2,1-2H3,(H,23,24)/t17-/m1/s1.
What are the key properties of N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide has a molecular weight of 434.51 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide is sourced from PubChem (CID 30545290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).