4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide

C18H23N3O4S — CID 24645477

IUPAC4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccccn2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C18H23N3O4S/c1-12(2)21-26(23,24)17-11-14(8-9-16(17)25-4)18(22)20-13(3)15-7-5-6-10-19-15/h5-13,21H,1-4H3,(H,20,22)
InChIKeyQKEJKOGKIRNGEG-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.27
Rot. Bonds7

About 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide

4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 24645477) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID24645477
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccccn2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C18H23N3O4S/c1-12(2)21-26(23,24)17-11-14(8-9-16(17)25-4)18(22)20-13(3)15-7-5-6-10-19-15/h5-13,21H,1-4H3,(H,20,22)
InChIKeyQKEJKOGKIRNGEG-UHFFFAOYSA-N
XLogP2.27
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
3-methoxy-4-(2-methylpropoxy)-N-(1-pyridin-2-ylethyl)benzamide
CID 112758953
4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide
CID 55334786
N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557646
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46655114
4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114
4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 25391222
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676
4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55888443
4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932878
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide (CID 24645477) is 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide is COc1ccc(C(=O)NC(C)c2ccccn2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is QKEJKOGKIRNGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-12(2)21-26(23,24)17-11-14(8-9-16(17)25-4)18(22)20-13(3)15-7-5-6-10-19-15/h5-13,21H,1-4H3,(H,20,22).
What are the key properties of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide?
4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 377.47 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 24645477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).