N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide

C14H16N2O5S — CID 78868922

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCC(O)c2ccco2)c1
InChIInChI=1S/C14H16N2O5S/c1-22(19,20)16-11-5-2-4-10(8-11)14(18)15-9-12(17)13-6-3-7-21-13/h2-8,12,16-17H,9H2,1H3,(H,15,18)
InChIKeyXECKSXANIDBAFN-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.11
Rot. Bonds6

About N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide (PubChem CID 78868922) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide
PubChem CID78868922
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCC(O)c2ccco2)c1
InChIInChI=1S/C14H16N2O5S/c1-22(19,20)16-11-5-2-4-10(8-11)14(18)15-9-12(17)13-6-3-7-21-13/h2-8,12,16-17H,9H2,1H3,(H,15,18)
InChIKeyXECKSXANIDBAFN-UHFFFAOYSA-N
XLogP1.11
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 78897428
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide
CID 49089748
3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 110889301
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 78867802
3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 86981028
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25374826
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methanesulfonamido)benzamide
CID 51647882
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 110889015
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide (CID 78868922) is N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1cccc(C(=O)NCC(O)c2ccco2)c1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide?
The InChIKey is XECKSXANIDBAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-22(19,20)16-11-5-2-4-10(8-11)14(18)15-9-12(17)13-6-3-7-21-13/h2-8,12,16-17H,9H2,1H3,(H,15,18).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide has a molecular weight of 324.36 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 78868922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).