N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide

C19H30N2O4S — CID 135119424

IUPACN-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)N(CC)C2CCOC(C)(C)C2)cc1
InChIInChI=1S/C19H30N2O4S/c1-5-12-20-26(23,24)17-9-7-15(8-10-17)18(22)21(6-2)16-11-13-25-19(3,4)14-16/h7-10,16,20H,5-6,11-14H2,1-4H3
InChIKeyDUAPARUGEKEMOJ-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.79
Rot. Bonds7

About N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide

N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide (PubChem CID 135119424) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide
PubChem CID135119424
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC NameN-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)N(CC)C2CCOC(C)(C)C2)cc1
InChIInChI=1S/C19H30N2O4S/c1-5-12-20-26(23,24)17-9-7-15(8-10-17)18(22)21(6-2)16-11-13-25-19(3,4)14-16/h7-10,16,20H,5-6,11-14H2,1-4H3
InChIKeyDUAPARUGEKEMOJ-UHFFFAOYSA-N
XLogP2.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-2,2-dimethyloxan-4-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide
CID 95895911
N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide
CID 126810790
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide
CID 95128544
2-anilino-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrimidine-5-carboxamide
CID 97149283
1-N-butyl-4-N-(2,2-dimethyloxan-4-yl)benzene-1,4-disulfonamide
CID 4617022
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide
CID 154742386
3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea
CID 97444759
4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 115563563
N-(2,2-dimethyloxan-4-yl)-N-ethyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70725369
N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide
CID 109058037
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 136696811

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide (CID 135119424) is N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1ccc(C(=O)N(CC)C2CCOC(C)(C)C2)cc1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide?
The InChIKey is DUAPARUGEKEMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-5-12-20-26(23,24)17-9-7-15(8-10-17)18(22)21(6-2)16-11-13-25-19(3,4)14-16/h7-10,16,20H,5-6,11-14H2,1-4H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide?
N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide has a molecular weight of 382.53 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide is sourced from PubChem (CID 135119424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).