N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

C18H24N2O5S — CID 60596662

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2cc(C)oc2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H24N2O5S/c1-11-9-15(13(3)25-11)12(2)19-18(21)14-7-8-16(24-6)17(10-14)26(22,23)20(4)5/h7-10,12H,1-6H3,(H,19,21)
InChIKeyHWEAMNRBGJHAPB-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.65
Rot. Bonds6

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (PubChem CID 60596662) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
PubChem CID60596662
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2cc(C)oc2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H24N2O5S/c1-11-9-15(13(3)25-11)12(2)19-18(21)14-7-8-16(24-6)17(10-14)26(22,23)20(4)5/h7-10,12H,1-6H3,(H,19,21)
InChIKeyHWEAMNRBGJHAPB-UHFFFAOYSA-N
XLogP2.65
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55579730
N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51150363
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
CID 119370205
3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 92517191
N-[(1S)-1-(3-bromophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 28557745
3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402509
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid
CID 119364324
N-[(1R)-1-(1-adamantyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51544551
3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764009
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24625890
3-(dimethylsulfamoyl)-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55876850

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (CID 60596662) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)NC(C)c2cc(C)oc2C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is HWEAMNRBGJHAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-11-9-15(13(3)25-11)12(2)19-18(21)14-7-8-16(24-6)17(10-14)26(22,23)20(4)5/h7-10,12H,1-6H3,(H,19,21).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 380.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 60596662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).