3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide

C18H23N3O3S — CID 1006973

IUPAC3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-14(2)21-25(23,24)17-6-3-15(4-7-17)5-8-18(22)20-13-16-9-11-19-12-10-16/h3-4,6-7,9-12,14,21H,5,8,13H2,1-2H3,(H,20,22)
InChIKeyAHMMJVRGTIYAHZ-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.02
Rot. Bonds8

About 3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide

3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 1006973) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID1006973
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-14(2)21-25(23,24)17-6-3-15(4-7-17)5-8-18(22)20-13-16-9-11-19-12-10-16/h3-4,6-7,9-12,14,21H,5,8,13H2,1-2H3,(H,20,22)
InChIKeyAHMMJVRGTIYAHZ-UHFFFAOYSA-N
XLogP2.02
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Torasemide
CID 41781
Stf-31
CID 984333
3-(((4-Methylphenyl)sulfonyl)amino)propyl pyridin-4-ylcarbamate
CID 3236724
4-Acetyl-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 746813
Tubulin inhibitor 11
CID 139369407
4-(3-Pyridin-3-yl-propyl)-8-(toluene-4-sulfonylamino)-octanoic acid
CID 10432964
4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 795996
3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 871256
4-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 651192
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
CID 720106
3-Amidinophenylalanine deriv., 55
CID 11699903

Frequently Asked Questions

What is the IUPAC name of 3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide (CID 1006973) is 3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide is CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccncc2)cc1.
What is the InChIKey of 3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is AHMMJVRGTIYAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14(2)21-25(23,24)17-6-3-15(4-7-17)5-8-18(22)20-13-16-9-11-19-12-10-16/h3-4,6-7,9-12,14,21H,5,8,13H2,1-2H3,(H,20,22).
What are the key properties of 3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide?
3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 361.47 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 1006973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).