2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

C14H21N3O3S — CID 116675254

IUPAC2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(NC(=O)C(C)C1CNC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H21N3O3S/c1-9(12-7-16-8-12)14(18)17-10(2)11-3-5-13(6-4-11)21(15,19)20/h3-6,9-10,12,16H,7-8H2,1-2H3,(H,17,18)(H2,15,19,20)
InChIKeyZVTQKBVLJOGKOR-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.37
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 116675254) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID116675254
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(NC(=O)C(C)C1CNC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H21N3O3S/c1-9(12-7-16-8-12)14(18)17-10(2)11-3-5-13(6-4-11)21(15,19)20/h3-6,9-10,12,16H,7-8H2,1-2H3,(H,17,18)(H2,15,19,20)
InChIKeyZVTQKBVLJOGKOR-UHFFFAOYSA-N
XLogP0.37
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 116677038
2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 116675039
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
1-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909788
(2R)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846030
(2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846028
5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104683857
2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide
CID 116674875
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
methyl 2-[2-(azetidin-3-yl)propanoylamino]-2-phenylacetate
CID 116677618
2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 134037901

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (CID 116675254) is 2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is CC(NC(=O)C(C)C1CNC1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is ZVTQKBVLJOGKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-9(12-7-16-8-12)14(18)17-10(2)11-3-5-13(6-4-11)21(15,19)20/h3-6,9-10,12,16H,7-8H2,1-2H3,(H,17,18)(H2,15,19,20).
What are the key properties of 2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 311.41 g/mol, XLogP of 0.37, 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-[1-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 116675254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).