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

C14H21N3O3S — CID 116675266

IUPAC2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)C1CNC1
InChIInChI=1S/C14H21N3O3S/c1-10(11-8-15-9-11)14(18)16-12-4-6-13(7-5-12)21(19,20)17(2)3/h4-7,10-11,15H,8-9H2,1-3H3,(H,16,18)
InChIKeyMGAMVKCDKDJPIQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.73
Rot. Bonds5

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

2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 116675266) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID116675266
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)C1CNC1
InChIInChI=1S/C14H21N3O3S/c1-10(11-8-15-9-11)14(18)16-12-4-6-13(7-5-12)21(19,20)17(2)3/h4-7,10-11,15H,8-9H2,1-3H3,(H,16,18)
InChIKeyMGAMVKCDKDJPIQ-UHFFFAOYSA-N
XLogP0.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide
CID 116675283
N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
CID 116674524
methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate
CID 116675796
2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 116675714
2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide
CID 116675582
2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide
CID 116675538
2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
CID 65226088
2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 116675831
2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide
CID 116675843
5-[2-(azetidin-3-yl)propanoylamino]-2-chlorobenzoic acid
CID 116675875
2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 116677263

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide (CID 116675266) is 2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide is CC(C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is MGAMVKCDKDJPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(11-8-15-9-11)14(18)16-12-4-6-13(7-5-12)21(19,20)17(2)3/h4-7,10-11,15H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 311.41 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 116675266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).