2-(3-methylazetidin-3-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide

C13H19N3O4S — CID 102611378

IUPAC2-(3-methylazetidin-3-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide
SMILESCC1(OCC(=O)NCc2cccc(S(N)(=O)=O)c2)CNC1
InChIInChI=1S/C13H19N3O4S/c1-13(8-15-9-13)20-7-12(17)16-6-10-3-2-4-11(5-10)21(14,18)19/h2-5,15H,6-9H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyTZKOHUAPLZIGCP-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.67
Rot. Bonds6

About 2-(3-methylazetidin-3-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide

2-(3-methylazetidin-3-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide (PubChem CID 102611378) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide
PubChem CID102611378
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide
SMILESCC1(OCC(=O)NCc2cccc(S(N)(=O)=O)c2)CNC1
InChIInChI=1S/C13H19N3O4S/c1-13(8-15-9-13)20-7-12(17)16-6-10-3-2-4-11(5-10)21(14,18)19/h2-5,15H,6-9H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyTZKOHUAPLZIGCP-UHFFFAOYSA-N
XLogP-0.67
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 60859149
3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 63139949
3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731394
4-hydroxy-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 79192761
2-(4-chloro-2-methylphenoxy)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 31916474
N-[(3-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 60857668
N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766763
2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 52681070
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020
2-[2-oxo-2-[(3-sulfamoylphenyl)methylamino]ethyl]sulfanylacetic acid
CID 104569122
N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55150240

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide (CID 102611378) is 2-(3-methylazetidin-3-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide is CC1(OCC(=O)NCc2cccc(S(N)(=O)=O)c2)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide?
The InChIKey is TZKOHUAPLZIGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-13(8-15-9-13)20-7-12(17)16-6-10-3-2-4-11(5-10)21(14,18)19/h2-5,15H,6-9H2,1H3,(H,16,17)(H2,14,18,19).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide?
2-(3-methylazetidin-3-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide has a molecular weight of 313.38 g/mol, XLogP of -0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 102611378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).