4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide

C15H24N2O4S — CID 32647614

IUPAC4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCC(C)COCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O4S/c1-12(2)11-21-10-4-9-16-15(18)13-5-7-14(8-6-13)17-22(3,19)20/h5-8,12,17H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyPBJAUUGEMRMIBL-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.85
Rot. Bonds9

About 4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide

4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide (PubChem CID 32647614) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide
PubChem CID32647614
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCC(C)COCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O4S/c1-12(2)11-21-10-4-9-16-15(18)13-5-7-14(8-6-13)17-22(3,19)20/h5-8,12,17H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyPBJAUUGEMRMIBL-UHFFFAOYSA-N
XLogP1.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.85
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
N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide
CID 42123150
N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide
CID 115590077
N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
CID 37360957
4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 113338751
N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide
CID 103606594
4-bromo-N-[2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111402411
N-[3-[(2-cyanoacetyl)amino]propyl]-4-(methanesulfonamido)benzamide
CID 108924285
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
CID 51278231
N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 43582844
5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 78949637
ethyl [4-[3-[[4-(methanesulfonamido)benzoyl]amino]propylcarbamoyl]phenyl] carbonate
CID 108932294

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide (CID 32647614) is 4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide is CC(C)COCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide?
The InChIKey is PBJAUUGEMRMIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-12(2)11-21-10-4-9-16-15(18)13-5-7-14(8-6-13)17-22(3,19)20/h5-8,12,17H,4,9-11H2,1-3H3,(H,16,18).
What are the key properties of 4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide?
4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide has a molecular weight of 328.43 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide is sourced from PubChem (CID 32647614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).