N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide

C18H25N3O5S — CID 55518843

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCC(c2ccco2)N(C)C)cc1
InChIInChI=1S/C18H25N3O5S/c1-21(2)16(17-5-4-11-26-17)13-19-18(22)14-6-8-15(9-7-14)27(23,24)20-10-12-25-3/h4-9,11,16,20H,10,12-13H2,1-3H3,(H,19,22)
InChIKeySXNWIPZTPXRVNN-UHFFFAOYSA-N
MW395.48 g/mol
LogP1.24
Rot. Bonds10

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 55518843) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID55518843
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCC(c2ccco2)N(C)C)cc1
InChIInChI=1S/C18H25N3O5S/c1-21(2)16(17-5-4-11-26-17)13-19-18(22)14-6-8-15(9-7-14)27(23,24)20-10-12-25-3/h4-9,11,16,20H,10,12-13H2,1-3H3,(H,19,22)
InChIKeySXNWIPZTPXRVNN-UHFFFAOYSA-N
XLogP1.24
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 24673398
N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297863
N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 24674869
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
CID 51145105
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide
CID 47082106
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 24542683
N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059880
3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 24981861
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 8501899
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25353255

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide (CID 55518843) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)NCC(c2ccco2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is SXNWIPZTPXRVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-21(2)16(17-5-4-11-26-17)13-19-18(22)14-6-8-15(9-7-14)27(23,24)20-10-12-25-3/h4-9,11,16,20H,10,12-13H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 1.24, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 55518843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).