ethane;N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide

C14H24N2O4S — CID 143180744

IUPACethane;N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide
SMILESCC.CCC(=O)NCCS(=O)(=O)NOCc1ccccc1
InChIInChI=1S/C12H18N2O4S.C2H6/c1-2-12(15)13-8-9-19(16,17)14-18-10-11-6-4-3-5-7-11;1-2/h3-7,14H,2,8-10H2,1H3,(H,13,15);1-2H3
InChIKeyKHVLLYHICWKQTM-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.59
Rot. Bonds8

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

ethane;N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide (PubChem CID 143180744) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is ethane;N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide.

Molecular Properties

Compound Nameethane;N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide
PubChem CID143180744
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Nameethane;N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide
SMILESCC.CCC(=O)NCCS(=O)(=O)NOCc1ccccc1
InChIInChI=1S/C12H18N2O4S.C2H6/c1-2-12(15)13-8-9-19(16,17)14-18-10-11-6-4-3-5-7-11;1-2/h3-7,14H,2,8-10H2,1H3,(H,13,15);1-2H3
InChIKeyKHVLLYHICWKQTM-UHFFFAOYSA-N
XLogP1.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.59
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 ethane;N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide?
The IUPAC name of ethane;N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide (CID 143180744) is ethane;N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide.
What is the SMILES notation for ethane;N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide?
The canonical SMILES for ethane;N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide is CC.CCC(=O)NCCS(=O)(=O)NOCc1ccccc1.
What is the InChIKey of ethane;N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide?
The InChIKey is KHVLLYHICWKQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S.C2H6/c1-2-12(15)13-8-9-19(16,17)14-18-10-11-6-4-3-5-7-11;1-2/h3-7,14H,2,8-10H2,1H3,(H,13,15);1-2H3.
What are the key properties of ethane;N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide?
ethane;N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide has a molecular weight of 316.42 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide is sourced from PubChem (CID 143180744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).