3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide

C16H26N2O5S — CID 7618935

IUPAC3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
SMILESCCCCCNS(=O)(=O)CCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O5S/c1-4-5-6-9-18-24(20,21)11-10-17-16(19)13-7-8-14(22-2)15(12-13)23-3/h7-8,12,18H,4-6,9-11H2,1-3H3,(H,17,19)
InChIKeyPSXJIGPKXUHHBR-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.54
Rot. Bonds11

About 3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide

3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide (PubChem CID 7618935) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
PubChem CID7618935
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
SMILESCCCCCNS(=O)(=O)CCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O5S/c1-4-5-6-9-18-24(20,21)11-10-17-16(19)13-7-8-14(22-2)15(12-13)23-3/h7-8,12,18H,4-6,9-11H2,1-3H3,(H,17,19)
InChIKeyPSXJIGPKXUHHBR-UHFFFAOYSA-N
XLogP1.54
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.54
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

3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
CID 7618926
N-[2-[2-(dimethylamino)ethylsulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618827
3-methoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 18582832
ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate
CID 7618819
3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide
CID 7618847
3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide
CID 7618938
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618251
3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide
CID 7618911
3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide
CID 7618936
N-[2-(cyclohexylsulfamoyl)ethyl]-3,4-dimethoxybenzamide
CID 7618852
5-(hexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65397075

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide (CID 7618935) is 3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide is CCCCCNS(=O)(=O)CCNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide?
The InChIKey is PSXJIGPKXUHHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-4-5-6-9-18-24(20,21)11-10-17-16(19)13-7-8-14(22-2)15(12-13)23-3/h7-8,12,18H,4-6,9-11H2,1-3H3,(H,17,19).
What are the key properties of 3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide?
3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide has a molecular weight of 358.46 g/mol, XLogP of 1.54, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 7618935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).