N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-(dimethylsulfamoyl)benzamide

C18H24N2O5S — CID 71804558

IUPACN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-(dimethylsulfamoyl)benzamide
SMILESCc1cc(C(O)CCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)o1
InChIInChI=1S/C18H24N2O5S/c1-12-11-16(13(2)25-12)17(21)9-10-19-18(22)14-5-7-15(8-6-14)26(23,24)20(3)4/h5-8,11,17,21H,9-10H2,1-4H3,(H,19,22)
InChIKeyRLGGOXRQFNPSAO-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.00
Rot. Bonds7

About N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-(dimethylsulfamoyl)benzamide

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 71804558) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID71804558
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-(dimethylsulfamoyl)benzamide
SMILESCc1cc(C(O)CCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)o1
InChIInChI=1S/C18H24N2O5S/c1-12-11-16(13(2)25-12)17(21)9-10-19-18(22)14-5-7-15(8-6-14)26(23,24)20(3)4/h5-8,11,17,21H,9-10H2,1-4H3,(H,19,22)
InChIKeyRLGGOXRQFNPSAO-UHFFFAOYSA-N
XLogP2.00
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032
4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499587
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 121133059
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-methyl-3-nitrobenzamide
CID 121133081
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide
CID 121133019
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethylbenzamide
CID 121133041
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide
CID 121133057
2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide
CID 121133050
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide
CID 97042845
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide
CID 121133006
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
4-(dimethylsulfamoyl)-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320250

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-(dimethylsulfamoyl)benzamide (CID 71804558) is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-(dimethylsulfamoyl)benzamide is Cc1cc(C(O)CCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)o1.
What is the InChIKey of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is RLGGOXRQFNPSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-12-11-16(13(2)25-12)17(21)9-10-19-18(22)14-5-7-15(8-6-14)26(23,24)20(3)4/h5-8,11,17,21H,9-10H2,1-4H3,(H,19,22).
What are the key properties of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-(dimethylsulfamoyl)benzamide?
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 380.47 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 71804558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).