N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide

C14H23N3O4S — CID 119821890

IUPACN-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide
SMILESCCNS(=O)(=O)c1ccc(CNC(=O)CNCCOC)cc1
InChIInChI=1S/C14H23N3O4S/c1-3-17-22(19,20)13-6-4-12(5-7-13)10-16-14(18)11-15-8-9-21-2/h4-7,15,17H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyPEKBOBATAJIAHK-UHFFFAOYSA-N
MW329.42 g/mol
LogP-0.16
Rot. Bonds10

About N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide

N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 119821890) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide
PubChem CID119821890
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide
SMILESCCNS(=O)(=O)c1ccc(CNC(=O)CNCCOC)cc1
InChIInChI=1S/C14H23N3O4S/c1-3-17-22(19,20)13-6-4-12(5-7-13)10-16-14(18)11-15-8-9-21-2/h4-7,15,17H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyPEKBOBATAJIAHK-UHFFFAOYSA-N
XLogP-0.16
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 119706515
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908414
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119702529
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
CID 119296315
2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 119690162
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119736086
2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride
CID 119752398
2-(2-methoxyethylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide;hydrochloride
CID 119707353
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 108736002
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide (CID 119821890) is N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide is CCNS(=O)(=O)c1ccc(CNC(=O)CNCCOC)cc1.
What is the InChIKey of N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is PEKBOBATAJIAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-3-17-22(19,20)13-6-4-12(5-7-13)10-16-14(18)11-15-8-9-21-2/h4-7,15,17H,3,8-11H2,1-2H3,(H,16,18).
What are the key properties of N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide?
N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 329.42 g/mol, XLogP of -0.16, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119821890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).