N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide

C14H22N2O4S — CID 103606594

IUPACN-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide
SMILESCC(C)COCCCNC(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-11(2)10-20-8-4-7-16-14(17)12-5-3-6-13(9-12)21(15,18)19/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyOEDSWLXIQJZTSD-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.13
Rot. Bonds8

About N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide

N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide (PubChem CID 103606594) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide
PubChem CID103606594
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide
SMILESCC(C)COCCCNC(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-11(2)10-20-8-4-7-16-14(17)12-5-3-6-13(9-12)21(15,18)19/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyOEDSWLXIQJZTSD-UHFFFAOYSA-N
XLogP1.13
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.13
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

N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide
CID 103606595
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
CID 24560167
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
CID 51278231
N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide
CID 115590077
N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide
CID 48630521
3-[1-[3-(2-methylpropoxy)propylamino]ethyl]benzenesulfonamide
CID 43770073
3-(tribromomethylsulfonyl)-N-[3-[3-[3-[[3-(tribromomethylsulfonyl)benzoyl]amino]propoxy]propoxy]propyl]benzamide
CID 164778871
N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062648
4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 113338751
N-ethyl-3-sulfamoylbenzamide
CID 43089872
3-(5-methylhexylcarbamoyl)benzenesulfonyl chloride
CID 113287469
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533218

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide (CID 103606594) is N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide is CC(C)COCCCNC(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide?
The InChIKey is OEDSWLXIQJZTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11(2)10-20-8-4-7-16-14(17)12-5-3-6-13(9-12)21(15,18)19/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide?
N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide has a molecular weight of 314.41 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 103606594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).