N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(furan-3-ylmethylsulfamoyl)benzamide

C17H20N2O6S — CID 97193975

IUPACN-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(furan-3-ylmethylsulfamoyl)benzamide
SMILESO=C(NC[C@H]1COCCO1)c1cccc(S(=O)(=O)NCc2ccoc2)c1
InChIInChI=1S/C17H20N2O6S/c20-17(18-10-15-12-24-6-7-25-15)14-2-1-3-16(8-14)26(21,22)19-9-13-4-5-23-11-13/h1-5,8,11,15,19H,6-7,9-10,12H2,(H,18,20)/t15-/m0/s1
InChIKeyZTOZFWMURPJBDE-HNNXBMFYSA-N
MW380.42 g/mol
LogP0.90
Rot. Bonds7

About N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(furan-3-ylmethylsulfamoyl)benzamide

N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(furan-3-ylmethylsulfamoyl)benzamide (PubChem CID 97193975) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(furan-3-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(furan-3-ylmethylsulfamoyl)benzamide
PubChem CID97193975
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(furan-3-ylmethylsulfamoyl)benzamide
SMILESO=C(NC[C@H]1COCCO1)c1cccc(S(=O)(=O)NCc2ccoc2)c1
InChIInChI=1S/C17H20N2O6S/c20-17(18-10-15-12-24-6-7-25-15)14-2-1-3-16(8-14)26(21,22)19-9-13-4-5-23-11-13/h1-5,8,11,15,19H,6-7,9-10,12H2,(H,18,20)/t15-/m0/s1
InChIKeyZTOZFWMURPJBDE-HNNXBMFYSA-N
XLogP0.90
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide
CID 72881405
3-bromo-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908965
N-(1,4-dioxan-2-ylmethyl)-3-sulfanylbenzamide
CID 107023717
3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 97208205
N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)benzenesulfonamide
CID 106016635
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 27518057
3-amino-N-(1,4-dioxan-2-ylmethyl)benzenesulfonamide
CID 54907983
N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 95861904
N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide
CID 109063938
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydroxybenzamide
CID 113358419

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(furan-3-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(furan-3-ylmethylsulfamoyl)benzamide (CID 97193975) is N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(furan-3-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(furan-3-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(furan-3-ylmethylsulfamoyl)benzamide is O=C(NC[C@H]1COCCO1)c1cccc(S(=O)(=O)NCc2ccoc2)c1.
What is the InChIKey of N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(furan-3-ylmethylsulfamoyl)benzamide?
The InChIKey is ZTOZFWMURPJBDE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c20-17(18-10-15-12-24-6-7-25-15)14-2-1-3-16(8-14)26(21,22)19-9-13-4-5-23-11-13/h1-5,8,11,15,19H,6-7,9-10,12H2,(H,18,20)/t15-/m0/s1.
What are the key properties of N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(furan-3-ylmethylsulfamoyl)benzamide?
N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(furan-3-ylmethylsulfamoyl)benzamide has a molecular weight of 380.42 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(furan-3-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 97193975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).