4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide

C19H20N2O6S — CID 78318533

IUPAC4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCOC3=O)cc2)cc1
InChIInChI=1S/C19H20N2O6S/c1-2-26-15-7-3-13(4-8-15)18(22)20-14-5-9-16(10-6-14)28(24,25)21-17-11-12-27-19(17)23/h3-10,17,21H,2,11-12H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyGERSPCOWEYJNIO-KRWDZBQOSA-N
MW404.44 g/mol
LogP1.93
Rot. Bonds7

About 4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide

4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide (PubChem CID 78318533) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is 4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
PubChem CID78318533
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCOC3=O)cc2)cc1
InChIInChI=1S/C19H20N2O6S/c1-2-26-15-7-3-13(4-8-15)18(22)20-14-5-9-16(10-6-14)28(24,25)21-17-11-12-27-19(17)23/h3-10,17,21H,2,11-12H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyGERSPCOWEYJNIO-KRWDZBQOSA-N
XLogP1.93
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide
CID 126756539
2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
CID 78318477
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
4-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 126756514
N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 34677141
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17353443
4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide
CID 126737148
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
CID 3950835
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-ethoxyphenyl)benzamide
CID 4557243

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide (CID 78318533) is 4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCOC3=O)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide?
The InChIKey is GERSPCOWEYJNIO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-2-26-15-7-3-13(4-8-15)18(22)20-14-5-9-16(10-6-14)28(24,25)21-17-11-12-27-19(17)23/h3-10,17,21H,2,11-12H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of 4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide?
4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide has a molecular weight of 404.44 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 78318533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).