N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

C18H30N2O4S — CID 46515959

IUPACN-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCCCCCC(C)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C
InChIInChI=1S/C18H30N2O4S/c1-5-6-7-8-15(3)20-18(21)17-13-16(10-9-14(17)2)25(22,23)19-11-12-24-4/h9-10,13,15,19H,5-8,11-12H2,1-4H3,(H,20,21)
InChIKeyMMEVLPZSVLIXPL-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.62
Rot. Bonds11

About N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (PubChem CID 46515959) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
PubChem CID46515959
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC NameN-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCCCCCC(C)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C
InChIInChI=1S/C18H30N2O4S/c1-5-6-7-8-15(3)20-18(21)17-13-16(10-9-14(17)2)25(22,23)19-11-12-24-4/h9-10,13,15,19H,5-8,11-12H2,1-4H3,(H,20,21)
InChIKeyMMEVLPZSVLIXPL-UHFFFAOYSA-N
XLogP2.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.62
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

5-(2-methoxyethylsulfamoyl)-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 51164465
2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide
CID 43006104
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 51144217
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
CID 42940283
5-(butylsulfamoyl)-N,2-dimethylbenzamide
CID 6464049
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide
CID 30804825
methyl 2-methyl-5-(propylsulfamoyl)benzoate
CID 95970856

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (CID 46515959) is N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is CCCCCC(C)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C.
What is the InChIKey of N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The InChIKey is MMEVLPZSVLIXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-5-6-7-8-15(3)20-18(21)17-13-16(10-9-14(17)2)25(22,23)19-11-12-24-4/h9-10,13,15,19H,5-8,11-12H2,1-4H3,(H,20,21).
What are the key properties of N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide has a molecular weight of 370.52 g/mol, XLogP of 2.62, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 46515959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).