3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide

C14H22N2O5S — CID 45373616

IUPAC3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
SMILESCCNS(=O)(=O)c1cc(C(=O)NCCCOC)ccc1OC
InChIInChI=1S/C14H22N2O5S/c1-4-16-22(18,19)13-10-11(6-7-12(13)21-3)14(17)15-8-5-9-20-2/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyQNTFSGBKZFOHPV-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.76
Rot. Bonds9

About 3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide

3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide (PubChem CID 45373616) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
PubChem CID45373616
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
SMILESCCNS(=O)(=O)c1cc(C(=O)NCCCOC)ccc1OC
InChIInChI=1S/C14H22N2O5S/c1-4-16-22(18,19)13-10-11(6-7-12(13)21-3)14(17)15-8-5-9-20-2/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyQNTFSGBKZFOHPV-UHFFFAOYSA-N
XLogP0.76
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.76
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-(3-ethoxypropyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373708
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373626
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373535
3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide
CID 35812177
N,N-diethyl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373689
4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119432718
N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027131
5-(hexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65397075
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55408011
N-(2,6-difluorophenyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027144
3-(ethylsulfamoyl)-4-methoxy-N-[(2S)-pentan-2-yl]benzamide
CID 25419357

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide (CID 45373616) is 3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide is CCNS(=O)(=O)c1cc(C(=O)NCCCOC)ccc1OC.
What is the InChIKey of 3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide?
The InChIKey is QNTFSGBKZFOHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-4-16-22(18,19)13-10-11(6-7-12(13)21-3)14(17)15-8-5-9-20-2/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,15,17).
What are the key properties of 3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide?
3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide has a molecular weight of 330.41 g/mol, XLogP of 0.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 45373616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).