2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide

C16H26N2O4S — CID 38280263

IUPAC2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide
SMILESCCCCCC[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C16H26N2O4S/c1-4-5-6-7-8-12(2)18-16(19)14-11-13(23(17,20)21)9-10-15(14)22-3/h9-12H,4-8H2,1-3H3,(H,18,19)(H2,17,20,21)/t12-/m1/s1
InChIKeyUADDYFGJBAXHSW-GFCCVEGCSA-N
MW342.46 g/mol
LogP2.43
Rot. Bonds9

About 2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide

2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide (PubChem CID 38280263) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide
PubChem CID38280263
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide
SMILESCCCCCC[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C16H26N2O4S/c1-4-5-6-7-8-12(2)18-16(19)14-11-13(23(17,20)21)9-10-15(14)22-3/h9-12H,4-8H2,1-3H3,(H,18,19)(H2,17,20,21)/t12-/m1/s1
InChIKeyUADDYFGJBAXHSW-GFCCVEGCSA-N
XLogP2.43
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 43019463
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 51164410
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride
CID 120828882
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
2-methoxy-N-[[(2S)-1-nonylpyrrolidin-2-yl]methyl]-5-sulfamoylbenzamide
CID 15664993
N-(1-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115769101
2-methylpentyl 2-methoxy-5-sulfamoylbenzoate
CID 103286167
2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
CID 9292499
2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide
CID 46515920

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide?
The IUPAC name of 2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide (CID 38280263) is 2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide is CCCCCC[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1OC.
What is the InChIKey of 2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide?
The InChIKey is UADDYFGJBAXHSW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-4-5-6-7-8-12(2)18-16(19)14-11-13(23(17,20)21)9-10-15(14)22-3/h9-12H,4-8H2,1-3H3,(H,18,19)(H2,17,20,21)/t12-/m1/s1.
What are the key properties of 2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide?
2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide has a molecular weight of 342.46 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide is sourced from PubChem (CID 38280263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).