N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide

C12H18N2O4S — CID 143180727

IUPACN-[2-(phenylmethoxysulfamoyl)ethyl]propanamide
SMILESCCC(=O)NCCS(=O)(=O)NOCc1ccccc1
InChIInChI=1S/C12H18N2O4S/c1-2-12(15)13-8-9-19(16,17)14-18-10-11-6-4-3-5-7-11/h3-7,14H,2,8-10H2,1H3,(H,13,15)
InChIKeyWFIHNTGAYGIEFH-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.56
Rot. Bonds8

About N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide

N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide (PubChem CID 143180727) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(phenylmethoxysulfamoyl)ethyl]propanamide
PubChem CID143180727
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[2-(phenylmethoxysulfamoyl)ethyl]propanamide
SMILESCCC(=O)NCCS(=O)(=O)NOCc1ccccc1
InChIInChI=1S/C12H18N2O4S/c1-2-12(15)13-8-9-19(16,17)14-18-10-11-6-4-3-5-7-11/h3-7,14H,2,8-10H2,1H3,(H,13,15)
InChIKeyWFIHNTGAYGIEFH-UHFFFAOYSA-N
XLogP0.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide?
The IUPAC name of N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide (CID 143180727) is N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide.
What is the SMILES notation for N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide?
The canonical SMILES for N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide is CCC(=O)NCCS(=O)(=O)NOCc1ccccc1.
What is the InChIKey of N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide?
The InChIKey is WFIHNTGAYGIEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-2-12(15)13-8-9-19(16,17)14-18-10-11-6-4-3-5-7-11/h3-7,14H,2,8-10H2,1H3,(H,13,15).
What are the key properties of N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide?
N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide has a molecular weight of 286.35 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide is sourced from PubChem (CID 143180727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).