2-(butylsulfonylamino)-N-[1-(6-methoxy-3-pyridinyl)propyl]benzamide

C20H27N3O4S — CID 58892059

IUPAC2-(butylsulfonylamino)-N-[1-(6-methoxy-3-pyridinyl)propyl]benzamide
SMILESCCCCS(=O)(=O)Nc1ccccc1C(=O)NC(CC)c1ccc(OC)nc1
InChIInChI=1S/C20H27N3O4S/c1-4-6-13-28(25,26)23-18-10-8-7-9-16(18)20(24)22-17(5-2)15-11-12-19(27-3)21-14-15/h7-12,14,17,23H,4-6,13H2,1-3H3,(H,22,24)
InChIKeyBFQMQSIBOHOPCY-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.51
Rot. Bonds10

About 2-(butylsulfonylamino)-N-[1-(6-methoxy-3-pyridinyl)propyl]benzamide

2-(butylsulfonylamino)-N-[1-(6-methoxy-3-pyridinyl)propyl]benzamide (PubChem CID 58892059) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-(butylsulfonylamino)-N-[1-(6-methoxy-3-pyridinyl)propyl]benzamide.

Molecular Properties

Compound Name2-(butylsulfonylamino)-N-[1-(6-methoxy-3-pyridinyl)propyl]benzamide
PubChem CID58892059
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name2-(butylsulfonylamino)-N-[1-(6-methoxy-3-pyridinyl)propyl]benzamide
SMILESCCCCS(=O)(=O)Nc1ccccc1C(=O)NC(CC)c1ccc(OC)nc1
InChIInChI=1S/C20H27N3O4S/c1-4-6-13-28(25,26)23-18-10-8-7-9-16(18)20(24)22-17(5-2)15-11-12-19(27-3)21-14-15/h7-12,14,17,23H,4-6,13H2,1-3H3,(H,22,24)
InChIKeyBFQMQSIBOHOPCY-UHFFFAOYSA-N
XLogP3.51
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Way-151693
CID 4368
2-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 3133485
N-[3-(4-Methoxy-benzoylamino)-propyl]-6-methyl-nicotinamide
CID 6498656
2-{[(4-methoxyphenyl)carbonyl]amino}-N-(pyridin-4-yl)benzamide
CID 829444
N-(6-methoxy-3-pyridinyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2334703
6-(benzyloxy)-N-cyclohexylpyridine-3-carboxamide
CID 58368075
N-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide
CID 58368133
3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390930
3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390939
4-Appes
CID 11281345
2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 6471437
3-methoxy-N-(2-(N-(pyridin-2-ylmethyl)sulfamoyl)ethyl)benzamide
CID 7618083

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylamino)-N-[1-(6-methoxy-3-pyridinyl)propyl]benzamide?
The IUPAC name of 2-(butylsulfonylamino)-N-[1-(6-methoxy-3-pyridinyl)propyl]benzamide (CID 58892059) is 2-(butylsulfonylamino)-N-[1-(6-methoxy-3-pyridinyl)propyl]benzamide.
What is the SMILES notation for 2-(butylsulfonylamino)-N-[1-(6-methoxy-3-pyridinyl)propyl]benzamide?
The canonical SMILES for 2-(butylsulfonylamino)-N-[1-(6-methoxy-3-pyridinyl)propyl]benzamide is CCCCS(=O)(=O)Nc1ccccc1C(=O)NC(CC)c1ccc(OC)nc1.
What is the InChIKey of 2-(butylsulfonylamino)-N-[1-(6-methoxy-3-pyridinyl)propyl]benzamide?
The InChIKey is BFQMQSIBOHOPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-4-6-13-28(25,26)23-18-10-8-7-9-16(18)20(24)22-17(5-2)15-11-12-19(27-3)21-14-15/h7-12,14,17,23H,4-6,13H2,1-3H3,(H,22,24).
What are the key properties of 2-(butylsulfonylamino)-N-[1-(6-methoxy-3-pyridinyl)propyl]benzamide?
2-(butylsulfonylamino)-N-[1-(6-methoxy-3-pyridinyl)propyl]benzamide has a molecular weight of 405.52 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)-N-[1-(6-methoxy-3-pyridinyl)propyl]benzamide is sourced from PubChem (CID 58892059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).