N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

C16H26N2O5S — CID 43002878

IUPACN-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCCOCCCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C
InChIInChI=1S/C16H26N2O5S/c1-4-23-10-5-8-17-16(19)15-12-14(7-6-13(15)2)24(20,21)18-9-11-22-3/h6-7,12,18H,4-5,8-11H2,1-3H3,(H,17,19)
InChIKeyUPWNSWVXYDNXNO-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.08
Rot. Bonds11

About N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (PubChem CID 43002878) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
PubChem CID43002878
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC NameN-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCCOCCCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C
InChIInChI=1S/C16H26N2O5S/c1-4-23-10-5-8-17-16(19)15-12-14(7-6-13(15)2)24(20,21)18-9-11-22-3/h6-7,12,18H,4-5,8-11H2,1-3H3,(H,17,19)
InChIKeyUPWNSWVXYDNXNO-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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

5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide
CID 51165018
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390825
5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methylbenzamide
CID 28590378
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46515959
N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55407924
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643
2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide
CID 32886231
5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189
N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 56543877

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (CID 43002878) is N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is CCOCCCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C.
What is the InChIKey of N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The InChIKey is UPWNSWVXYDNXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-4-23-10-5-8-17-16(19)15-12-14(7-6-13(15)2)24(20,21)18-9-11-22-3/h6-7,12,18H,4-5,8-11H2,1-3H3,(H,17,19).
What are the key properties of N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 1.08, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 43002878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).