3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide

C21H22N2O5S — CID 9305876

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccco3)c2)cc1
InChIInChI=1S/C21H22N2O5S/c1-3-27-18-9-11-19(12-10-18)29(25,26)23-17-7-4-6-16(14-17)21(24)22-15(2)20-8-5-13-28-20/h4-15,23H,3H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyQELSYVFRUDPNRJ-HNNXBMFYSA-N
MW414.48 g/mol
LogP3.97
Rot. Bonds8

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide (PubChem CID 9305876) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
PubChem CID9305876
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccco3)c2)cc1
InChIInChI=1S/C21H22N2O5S/c1-3-27-18-9-11-19(12-10-18)29(25,26)23-17-7-4-6-16(14-17)21(24)22-15(2)20-8-5-13-28-20/h4-15,23H,3H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyQELSYVFRUDPNRJ-HNNXBMFYSA-N
XLogP3.97
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 25331234
N-(2-amino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 9295740
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542679
4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 26656829
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 30860583
3-(benzenesulfonamido)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 55454696
[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 43033031
N-[3-(azepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 7398605
3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide
CID 5061186
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132671557
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 25472628

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide (CID 9305876) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide is CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccco3)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide?
The InChIKey is QELSYVFRUDPNRJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-3-27-18-9-11-19(12-10-18)29(25,26)23-17-7-4-6-16(14-17)21(24)22-15(2)20-8-5-13-28-20/h4-15,23H,3H2,1-2H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide has a molecular weight of 414.48 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 9305876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).