N-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C23H31N3O4S — CID 46655859

IUPACN-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCCN(CCCNC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C23H31N3O4S/c1-2-26(20-8-4-3-5-9-20)16-7-15-24-23(27)19-11-13-22(14-12-19)31(28,29)25-18-21-10-6-17-30-21/h3-5,8-9,11-14,21,25H,2,6-7,10,15-18H2,1H3,(H,24,27)
InChIKeyOIPRCJVTCBCKHZ-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.79
Rot. Bonds11

About N-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 46655859) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID46655859
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCCN(CCCNC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C23H31N3O4S/c1-2-26(20-8-4-3-5-9-20)16-7-15-24-23(27)19-11-13-22(14-12-19)31(28,29)25-18-21-10-6-17-30-21/h3-5,8-9,11-14,21,25H,2,6-7,10,15-18H2,1H3,(H,24,27)
InChIKeyOIPRCJVTCBCKHZ-UHFFFAOYSA-N
XLogP2.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51339257
N-(4-hydroxybutyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100703871
4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide
CID 24552448
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide
CID 17154597
N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43045382
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9224830
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428385
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 46655859) is N-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is CCN(CCCNC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is OIPRCJVTCBCKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-2-26(20-8-4-3-5-9-20)16-7-15-24-23(27)19-11-13-22(14-12-19)31(28,29)25-18-21-10-6-17-30-21/h3-5,8-9,11-14,21,25H,2,6-7,10,15-18H2,1H3,(H,24,27).
What are the key properties of N-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 445.59 g/mol, XLogP of 2.79, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 46655859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).