N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-3-methoxybenzamide

C17H24N2O7S — CID 7618105

IUPACN-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)NC[C@@]2(OC)C=C[C@H](OC)O2)c1
InChIInChI=1S/C17H24N2O7S/c1-23-14-6-4-5-13(11-14)16(20)18-9-10-27(21,22)19-12-17(25-3)8-7-15(24-2)26-17/h4-8,11,15,19H,9-10,12H2,1-3H3,(H,18,20)/t15-,17-/m1/s1
InChIKeyJRWIPQVIQJFATE-NVXWUHKLSA-N
MW400.45 g/mol
LogP0.25
Rot. Bonds10

About N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-3-methoxybenzamide

N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-3-methoxybenzamide (PubChem CID 7618105) has the molecular formula C17H24N2O7S and a molecular weight of 400.45 g/mol. Its IUPAC name is N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-3-methoxybenzamide
PubChem CID7618105
Molecular FormulaC17H24N2O7S
Molecular Weight400.45 g/mol
Exact Mass400.13
IUPAC NameN-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)NC[C@@]2(OC)C=C[C@H](OC)O2)c1
InChIInChI=1S/C17H24N2O7S/c1-23-14-6-4-5-13(11-14)16(20)18-9-10-27(21,22)19-12-17(25-3)8-7-15(24-2)26-17/h4-8,11,15,19H,9-10,12H2,1-3H3,(H,18,20)/t15-,17-/m1/s1
InChIKeyJRWIPQVIQJFATE-NVXWUHKLSA-N
XLogP0.25
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618261
2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium
CID 7618004
3-methoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 18582832
N-[2-(3-ethoxypropylsulfamoyl)ethyl]-3-methoxybenzamide
CID 7618000
3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide
CID 7618936
N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide
CID 7618048
3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide
CID 7618938
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide
CID 7601079
N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide
CID 35325375
3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide
CID 7601092

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-3-methoxybenzamide (CID 7618105) is N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCS(=O)(=O)NC[C@@]2(OC)C=C[C@H](OC)O2)c1.
What is the InChIKey of N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-3-methoxybenzamide?
The InChIKey is JRWIPQVIQJFATE-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H24N2O7S/c1-23-14-6-4-5-13(11-14)16(20)18-9-10-27(21,22)19-12-17(25-3)8-7-15(24-2)26-17/h4-8,11,15,19H,9-10,12H2,1-3H3,(H,18,20)/t15-,17-/m1/s1.
What are the key properties of N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-3-methoxybenzamide?
N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-3-methoxybenzamide has a molecular weight of 400.45 g/mol, XLogP of 0.25, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 7618105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).