N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide

C14H21N3O5S — CID 55565202

IUPACN-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)C)c1
InChIInChI=1S/C14H21N3O5S/c1-17(2)13(18)10-15-14(19)11-5-4-6-12(9-11)23(20,21)16-7-8-22-3/h4-6,9,16H,7-8,10H2,1-3H3,(H,15,19)
InChIKeyZEIRVRLDAOVYOF-UHFFFAOYSA-N
MW343.41 g/mol
LogP-0.57
Rot. Bonds8

About N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide

N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 55565202) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
PubChem CID55565202
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)C)c1
InChIInChI=1S/C14H21N3O5S/c1-17(2)13(18)10-15-14(19)11-5-4-6-12(9-11)23(20,21)16-7-8-22-3/h4-6,9,16H,7-8,10H2,1-3H3,(H,15,19)
InChIKeyZEIRVRLDAOVYOF-UHFFFAOYSA-N
XLogP-0.57
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 5-0.57
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-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
N-[2-(ethylamino)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119504724
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide
CID 77088639
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063603
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-(furan-2-ylmethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063553
N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
CID 9481032
N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119527433
N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
CID 77088154

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide (CID 55565202) is N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is ZEIRVRLDAOVYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-17(2)13(18)10-15-14(19)11-5-4-6-12(9-11)23(20,21)16-7-8-22-3/h4-6,9,16H,7-8,10H2,1-3H3,(H,15,19).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide?
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 343.41 g/mol, XLogP of -0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 55565202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).