N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide

C14H22N2O4S — CID 17027131

IUPACN-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide
SMILESCCNS(=O)(=O)c1cc(C(=O)NC(C)CC)ccc1OC
InChIInChI=1S/C14H22N2O4S/c1-5-10(3)16-14(17)11-7-8-12(20-4)13(9-11)21(18,19)15-6-2/h7-10,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyVTURYHAAWCWVLN-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.52
Rot. Bonds7

About N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide

N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide (PubChem CID 17027131) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide
PubChem CID17027131
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide
SMILESCCNS(=O)(=O)c1cc(C(=O)NC(C)CC)ccc1OC
InChIInChI=1S/C14H22N2O4S/c1-5-10(3)16-14(17)11-7-8-12(20-4)13(9-11)21(18,19)15-6-2/h7-10,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyVTURYHAAWCWVLN-UHFFFAOYSA-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
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
N-benzhydryl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373733
3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide
CID 43002606
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propylsulfamoyl)benzamide
CID 17017988
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
CID 40742236
2-methoxy-5-(pentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368816
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 45373616
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide (CID 17027131) is N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide is CCNS(=O)(=O)c1cc(C(=O)NC(C)CC)ccc1OC.
What is the InChIKey of N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is VTURYHAAWCWVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-10(3)16-14(17)11-7-8-12(20-4)13(9-11)21(18,19)15-6-2/h7-10,15H,5-6H2,1-4H3,(H,16,17).
What are the key properties of N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide?
N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide 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 N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 17027131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).