4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide

C20H26N2O6S — CID 46646956

IUPAC4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O6S/c1-6-13(2)22-29(24,25)16-9-7-14(8-10-16)20(23)21-15-11-17(26-3)19(28-5)18(12-15)27-4/h7-13,22H,6H2,1-5H3,(H,21,23)
InChIKeyKECKDUKPUCDGRT-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.04
Rot. Bonds9

About 4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide

4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 46646956) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID46646956
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O6S/c1-6-13(2)22-29(24,25)16-9-7-14(8-10-16)20(23)21-15-11-17(26-3)19(28-5)18(12-15)27-4/h7-13,22H,6H2,1-5H3,(H,21,23)
InChIKeyKECKDUKPUCDGRT-UHFFFAOYSA-N
XLogP3.04
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119420171
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1272637
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239
4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide
CID 55862793
4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide
CID 17160272
6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109152022
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide
CID 51566582
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17160202

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide (CID 46646956) is 4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is KECKDUKPUCDGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-6-13(2)22-29(24,25)16-9-7-14(8-10-16)20(23)21-15-11-17(26-3)19(28-5)18(12-15)27-4/h7-13,22H,6H2,1-5H3,(H,21,23).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 422.50 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 46646956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).