4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide

C14H22N2O4S — CID 40742236

IUPAC4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1
InChIInChI=1S/C14H22N2O4S/c1-5-6-10(2)16-14(17)11-7-8-12(20-4)13(9-11)21(18,19)15-3/h7-10,15H,5-6H2,1-4H3,(H,16,17)/t10-/m1/s1
InChIKeyYNQOEBJTKDEOEZ-SNVBAGLBSA-N
MW314.41 g/mol
LogP1.52
Rot. Bonds7

About 4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide

4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide (PubChem CID 40742236) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
PubChem CID40742236
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1
InChIInChI=1S/C14H22N2O4S/c1-5-6-10(2)16-14(17)11-7-8-12(20-4)13(9-11)21(18,19)15-3/h7-10,15H,5-6H2,1-4H3,(H,16,17)/t10-/m1/s1
InChIKeyYNQOEBJTKDEOEZ-SNVBAGLBSA-N
XLogP1.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylsulfamoyl)-4-methoxy-N-[(2S)-pentan-2-yl]benzamide
CID 25419357
2-methoxy-5-(pentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368816
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 40742244
N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027131
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 28557669
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propylsulfamoyl)benzamide
CID 17017988
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
N-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 51317743
4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 65381397
N-[1-(2-chlorophenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 51163493

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide?
The IUPAC name of 4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide (CID 40742236) is 4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide is CCC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1.
What is the InChIKey of 4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide?
The InChIKey is YNQOEBJTKDEOEZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-6-10(2)16-14(17)11-7-8-12(20-4)13(9-11)21(18,19)15-3/h7-10,15H,5-6H2,1-4H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide?
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide has a molecular weight of 314.41 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide is sourced from PubChem (CID 40742236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).