N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide

C18H25N3O4S — CID 47082106

IUPACN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(S(=O)(=O)NC)cc1)c1ccco1
InChIInChI=1S/C18H25N3O4S/c1-4-21(5-2)16(17-7-6-12-25-17)13-20-18(22)14-8-10-15(11-9-14)26(23,24)19-3/h6-12,16,19H,4-5,13H2,1-3H3,(H,20,22)
InChIKeyQJFIPWWKPYBVJD-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.00
Rot. Bonds9

About N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide (PubChem CID 47082106) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide
PubChem CID47082106
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(S(=O)(=O)NC)cc1)c1ccco1
InChIInChI=1S/C18H25N3O4S/c1-4-21(5-2)16(17-7-6-12-25-17)13-20-18(22)14-8-10-15(11-9-14)26(23,24)19-3/h6-12,16,19H,4-5,13H2,1-3H3,(H,20,22)
InChIKeyQJFIPWWKPYBVJD-UHFFFAOYSA-N
XLogP2.00
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55518843
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43019245
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51126896
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide
CID 75431996
4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 46426488
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
CID 51145105
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 24542683
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 60602634
[(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2533073
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 94108532

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide (CID 47082106) is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide is CCN(CC)C(CNC(=O)c1ccc(S(=O)(=O)NC)cc1)c1ccco1.
What is the InChIKey of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide?
The InChIKey is QJFIPWWKPYBVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-4-21(5-2)16(17-7-6-12-25-17)13-20-18(22)14-8-10-15(11-9-14)26(23,24)19-3/h6-12,16,19H,4-5,13H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide?
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide has a molecular weight of 379.48 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 47082106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).