N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide

C18H25N3O4S — CID 75431996

IUPACN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(S(N)(=O)=O)c1C)c1ccco1
InChIInChI=1S/C18H25N3O4S/c1-4-21(5-2)15(16-9-7-11-25-16)12-20-18(22)14-8-6-10-17(13(14)3)26(19,23)24/h6-11,15H,4-5,12H2,1-3H3,(H,20,22)(H2,19,23,24)
InChIKeyXBJCJOKDHQZSSX-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.05
Rot. Bonds8

About N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide (PubChem CID 75431996) 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]-2-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide
PubChem CID75431996
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(S(N)(=O)=O)c1C)c1ccco1
InChIInChI=1S/C18H25N3O4S/c1-4-21(5-2)15(16-9-7-11-25-16)12-20-18(22)14-8-6-10-17(13(14)3)26(19,23)24/h6-11,15H,4-5,12H2,1-3H3,(H,20,22)(H2,19,23,24)
InChIKeyXBJCJOKDHQZSSX-UHFFFAOYSA-N
XLogP2.05
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide
CID 94813161
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethylbenzamide
CID 51162753
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(methoxymethyl)benzamide
CID 94813164
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide
CID 47082106
4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 47082113
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86853165
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 80710543
2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide
CID 103852810
N-[(2S)-1-[[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 52519417
N-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide
CID 78822026
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 51145074

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide?
The IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide (CID 75431996) is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide?
The canonical SMILES for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide is CCN(CC)C(CNC(=O)c1cccc(S(N)(=O)=O)c1C)c1ccco1.
What is the InChIKey of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide?
The InChIKey is XBJCJOKDHQZSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-4-21(5-2)15(16-9-7-11-25-16)12-20-18(22)14-8-6-10-17(13(14)3)26(19,23)24/h6-11,15H,4-5,12H2,1-3H3,(H,20,22)(H2,19,23,24).
What are the key properties of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide?
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide has a molecular weight of 379.48 g/mol, XLogP of 2.05, 8 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]-2-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 75431996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).