2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide

C13H19N3O3S — CID 116675714

IUPAC2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(CS(N)(=O)=O)cc1)C1CNC1
InChIInChI=1S/C13H19N3O3S/c1-9(11-6-15-7-11)13(17)16-12-4-2-10(3-5-12)8-20(14,18)19/h2-5,9,11,15H,6-8H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyZBVCZYDOQXYUAI-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.27
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide

2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide (PubChem CID 116675714) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide
PubChem CID116675714
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(CS(N)(=O)=O)cc1)C1CNC1
InChIInChI=1S/C13H19N3O3S/c1-9(11-6-15-7-11)13(17)16-12-4-2-10(3-5-12)8-20(14,18)19/h2-5,9,11,15H,6-8H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyZBVCZYDOQXYUAI-UHFFFAOYSA-N
XLogP0.27
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide
CID 116675582
(2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 124505456
2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 116675266
2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide
CID 116675283
2-methyl-3-oxo-3-[4-(sulfamoylmethyl)anilino]propanoic acid
CID 114898086
methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate
CID 116675796
2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide
CID 116675538
(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride
CID 119701898
2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
CID 116674524
(2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 79024483
2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide
CID 116675843

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide (CID 116675714) is 2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide is CC(C(=O)Nc1ccc(CS(N)(=O)=O)cc1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide?
The InChIKey is ZBVCZYDOQXYUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9(11-6-15-7-11)13(17)16-12-4-2-10(3-5-12)8-20(14,18)19/h2-5,9,11,15H,6-8H2,1H3,(H,16,17)(H2,14,18,19).
What are the key properties of 2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide?
2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide has a molecular weight of 297.38 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide is sourced from PubChem (CID 116675714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).