2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide

C18H23N3O4S — CID 647393

IUPAC2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-14(2)21-26(23,24)17-8-6-16(7-9-17)25-13-18(22)20-12-15-5-4-10-19-11-15/h4-11,14,21H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyHAQCXCTWMIRXBW-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.85
Rot. Bonds9

About 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide

2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 647393) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID647393
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-14(2)21-26(23,24)17-8-6-16(7-9-17)25-13-18(22)20-12-15-5-4-10-19-11-15/h4-11,14,21H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyHAQCXCTWMIRXBW-UHFFFAOYSA-N
XLogP1.85
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Cgs-27023
CID 446504
Butanamide, N-hydroxy-2-(((4-methoxyphenyl)sulfonyl)(3-pyridinylmethyl)amino)-3-methyl-, hydrochloride (1:1), (2R)-
CID 9888897
(2R)-N-Hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-4,4-dimethylpentanamide
CID 10526209
(2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]hexanamide
CID 10527557
Acetamide, N-hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-
CID 10545870
(2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-4-methylpentanamide
CID 10645086
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide
CID 71465421
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
2-(2-methylphenoxy)-N-(3-pyridinylmethyl)propanamide
CID 2977532
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
(2S)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-3-methylbutanamide
CID 11794888

Frequently Asked Questions

What is the IUPAC name of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide (CID 647393) is 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide is CCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is HAQCXCTWMIRXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-14(2)21-26(23,24)17-8-6-16(7-9-17)25-13-18(22)20-12-15-5-4-10-19-11-15/h4-11,14,21H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 647393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).