4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide

C16H24N2O6S — CID 91772259

IUPAC4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCCO)cc1
InChIInChI=1S/C16H24N2O6S/c1-2-25(21,22)18-13-5-3-12(4-6-13)16(20)17-14-7-9-23-11-15(14)24-10-8-19/h3-6,14-15,18-19H,2,7-11H2,1H3,(H,17,20)/t14-,15-/m1/s1
InChIKeyBBPMVNGFWAHSHP-HUUCEWRRSA-N
MW372.44 g/mol
LogP0.34
Rot. Bonds8

About 4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide

4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide (PubChem CID 91772259) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide
PubChem CID91772259
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCCO)cc1
InChIInChI=1S/C16H24N2O6S/c1-2-25(21,22)18-13-5-3-12(4-6-13)16(20)17-14-7-9-23-11-15(14)24-10-8-19/h3-6,14-15,18-19H,2,7-11H2,1H3,(H,17,20)/t14-,15-/m1/s1
InChIKeyBBPMVNGFWAHSHP-HUUCEWRRSA-N
XLogP0.34
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide?
The IUPAC name of 4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide (CID 91772259) is 4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide.
What is the SMILES notation for 4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide?
The canonical SMILES for 4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide is CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCCO)cc1.
What is the InChIKey of 4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide?
The InChIKey is BBPMVNGFWAHSHP-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-2-25(21,22)18-13-5-3-12(4-6-13)16(20)17-14-7-9-23-11-15(14)24-10-8-19/h3-6,14-15,18-19H,2,7-11H2,1H3,(H,17,20)/t14-,15-/m1/s1.
What are the key properties of 4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide?
4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide has a molecular weight of 372.44 g/mol, XLogP of 0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide is sourced from PubChem (CID 91772259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).