N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide

C15H24N2O4S — CID 45373494

IUPACN-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
SMILESCCC(C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C15H24N2O4S/c1-6-11(4)16-15(18)12-7-8-13(21-5)14(9-12)22(19,20)17-10(2)3/h7-11,17H,6H2,1-5H3,(H,16,18)
InChIKeyRORAKWMYZDGRNI-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.91
Rot. Bonds7

About N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide

N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 45373494) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID45373494
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
SMILESCCC(C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C15H24N2O4S/c1-6-11(4)16-15(18)12-7-8-13(21-5)14(9-12)22(19,20)17-10(2)3/h7-11,17H,6H2,1-5H3,(H,16,18)
InChIKeyRORAKWMYZDGRNI-UHFFFAOYSA-N
XLogP1.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027131
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide
CID 43002606
N-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 51872779
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
CID 40742236
4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46655114
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994
3-(ethylsulfamoyl)-4-methoxy-N-[(2S)-pentan-2-yl]benzamide
CID 25419357
3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-4-methoxybenzoic acid
CID 107215557
3-(1-hydroxypropan-2-ylsulfamoyl)-4-methoxybenzoic acid
CID 43499107
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide (CID 45373494) is N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide is CCC(C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1.
What is the InChIKey of N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is RORAKWMYZDGRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-6-11(4)16-15(18)12-7-8-13(21-5)14(9-12)22(19,20)17-10(2)3/h7-11,17H,6H2,1-5H3,(H,16,18).
What are the key properties of N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 328.43 g/mol, XLogP of 1.91, 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-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 45373494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).