3-[4-(tert-butylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide

C19H25N3O3S — CID 1090582

IUPAC3-[4-(tert-butylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C19H25N3O3S/c1-19(2,3)22-26(24,25)17-10-7-15(8-11-17)9-12-18(23)21-14-16-6-4-5-13-20-16/h4-8,10-11,13,22H,9,12,14H2,1-3H3,(H,21,23)
InChIKeyUZZBEVYYXFQVTN-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.41
Rot. Bonds7

About 3-[4-(tert-butylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide

3-[4-(tert-butylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 1090582) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-[4-(tert-butylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(tert-butylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID1090582
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name3-[4-(tert-butylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C19H25N3O3S/c1-19(2,3)22-26(24,25)17-10-7-15(8-11-17)9-12-18(23)21-14-16-6-4-5-13-20-16/h4-8,10-11,13,22H,9,12,14H2,1-3H3,(H,21,23)
InChIKeyUZZBEVYYXFQVTN-UHFFFAOYSA-N
XLogP2.41
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(tert-butylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[4-(tert-butylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide (CID 1090582) is 3-[4-(tert-butylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(tert-butylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(tert-butylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide is CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccccn2)cc1.
What is the InChIKey of 3-[4-(tert-butylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is UZZBEVYYXFQVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-19(2,3)22-26(24,25)17-10-7-15(8-11-17)9-12-18(23)21-14-16-6-4-5-13-20-16/h4-8,10-11,13,22H,9,12,14H2,1-3H3,(H,21,23).
What are the key properties of 3-[4-(tert-butylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide?
3-[4-(tert-butylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 375.49 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(tert-butylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 1090582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).