N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide

C16H24N2O4S — CID 18120892

IUPACN-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCCOCC2CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-18(2)23(20,21)15-8-6-14(7-9-15)16(19)17-10-3-11-22-12-13-4-5-13/h6-9,13H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyQIHZLNKSMSPQPF-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.48
Rot. Bonds9

About N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide

N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 18120892) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID18120892
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCCOCC2CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-18(2)23(20,21)15-8-6-14(7-9-15)16(19)17-10-3-11-22-12-13-4-5-13/h6-9,13H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyQIHZLNKSMSPQPF-UHFFFAOYSA-N
XLogP1.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
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-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide
CID 31737121
4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 110417973
N-[3-(cyclopropylmethoxy)propyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 31849879
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55782424
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 26635200
4-chloro-N-[4-[3-(cyclopropylmethoxy)propylamino]-4-oxobutyl]benzamide
CID 55410421
4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656823
4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide
CID 95635259
1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea
CID 47032630
N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46493024
N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
CID 63189178
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119432186

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide (CID 18120892) is N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCCCOCC2CC2)cc1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is QIHZLNKSMSPQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-18(2)23(20,21)15-8-6-14(7-9-15)16(19)17-10-3-11-22-12-13-4-5-13/h6-9,13H,3-5,10-12H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide?
N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 340.44 g/mol, XLogP of 1.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 18120892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).