N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-4-methoxybenzamide

C17H24N2O7S — CID 7618261

IUPACN-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NC[C@@]2(OC)C=C[C@H](OC)O2)cc1
InChIInChI=1S/C17H24N2O7S/c1-23-14-6-4-13(5-7-14)16(20)18-10-11-27(21,22)19-12-17(25-3)9-8-15(24-2)26-17/h4-9,15,19H,10-12H2,1-3H3,(H,18,20)/t15-,17-/m1/s1
InChIKeyZXGDPPLANDFRMC-NVXWUHKLSA-N
MW400.45 g/mol
LogP0.25
Rot. Bonds10

About N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-4-methoxybenzamide

N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-4-methoxybenzamide (PubChem CID 7618261) 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]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-4-methoxybenzamide
PubChem CID7618261
Molecular FormulaC17H24N2O7S
Molecular Weight400.45 g/mol
Exact Mass400.13
IUPAC NameN-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NC[C@@]2(OC)C=C[C@H](OC)O2)cc1
InChIInChI=1S/C17H24N2O7S/c1-23-14-6-4-13(5-7-14)16(20)18-10-11-27(21,22)19-12-17(25-3)9-8-15(24-2)26-17/h4-9,15,19H,10-12H2,1-3H3,(H,18,20)/t15-,17-/m1/s1
InChIKeyZXGDPPLANDFRMC-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]-3-methoxybenzamide
CID 7618105
N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618197
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618251
N-[2-[2-(diethylamino)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618195
4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide
CID 7618207
N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423415
N-[2-[2-(dimethylamino)ethylsulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618827
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide
CID 7618148
2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium
CID 7618004
3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide
CID 7618938
3-methoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 18582832
N-[2-(ethylsulfamoyl)ethyl]-3,5-dimethoxybenzamide
CID 7619023

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-4-methoxybenzamide (CID 7618261) is N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCS(=O)(=O)NC[C@@]2(OC)C=C[C@H](OC)O2)cc1.
What is the InChIKey of N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-4-methoxybenzamide?
The InChIKey is ZXGDPPLANDFRMC-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H24N2O7S/c1-23-14-6-4-13(5-7-14)16(20)18-10-11-27(21,22)19-12-17(25-3)9-8-15(24-2)26-17/h4-9,15,19H,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]-4-methoxybenzamide?
N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-4-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]-4-methoxybenzamide is sourced from PubChem (CID 7618261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).