methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate

C12H18N2O5S — CID 108735953

IUPACmethyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)OC)cc1
InChIInChI=1S/C12H18N2O5S/c1-18-8-7-14-20(16,17)11-5-3-10(4-6-11)9-13-12(15)19-2/h3-6,14H,7-9H2,1-2H3,(H,13,15)
InChIKeyAHSHKAYUPZXCSM-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.47
Rot. Bonds7

About methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate

methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate (PubChem CID 108735953) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
PubChem CID108735953
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Namemethyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)OC)cc1
InChIInChI=1S/C12H18N2O5S/c1-18-8-7-14-20(16,17)11-5-3-10(4-6-11)9-13-12(15)19-2/h3-6,14H,7-9H2,1-2H3,(H,13,15)
InChIKeyAHSHKAYUPZXCSM-UHFFFAOYSA-N
XLogP0.47
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
CID 119296315
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 108759091
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119736086
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 108736019
2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108736020
(2S)-2-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119736094
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 108736002
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119296317
N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119821890
1-tert-butyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110965310
1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine
CID 110934369

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate?
The IUPAC name of methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate (CID 108735953) is methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate is COCCNS(=O)(=O)c1ccc(CNC(=O)OC)cc1.
What is the InChIKey of methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate?
The InChIKey is AHSHKAYUPZXCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-18-8-7-14-20(16,17)11-5-3-10(4-6-11)9-13-12(15)19-2/h3-6,14H,7-9H2,1-2H3,(H,13,15).
What are the key properties of methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate?
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate has a molecular weight of 302.35 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate is sourced from PubChem (CID 108735953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).