(2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide

C16H24N2O4S — CID 124777718

IUPAC(2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-11(2)12-4-7-14(8-5-12)23(20,21)18-10-13-6-9-15(22-13)16(17)19/h4-5,7-8,11,13,15,18H,3,6,9-10H2,1-2H3,(H2,17,19)/t11-,13-,15-/m0/s1
InChIKeyFTWPUZXBIZXCJT-WHOFXGATSA-N
MW340.45 g/mol
LogP1.51
Rot. Bonds7

About (2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide

(2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide (PubChem CID 124777718) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is (2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide
PubChem CID124777718
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name(2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-11(2)12-4-7-14(8-5-12)23(20,21)18-10-13-6-9-15(22-13)16(17)19/h4-5,7-8,11,13,15,18H,3,6,9-10H2,1-2H3,(H2,17,19)/t11-,13-,15-/m0/s1
InChIKeyFTWPUZXBIZXCJT-WHOFXGATSA-N
XLogP1.51
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide
CID 167938136
1-(4-butan-2-ylphenyl)-2-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111072754
N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide
CID 115301404
4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974008
N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide
CID 63733152
4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide
CID 43298854
5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 120669246
N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
CID 119987953
4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973417
4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide
CID 75397867
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
4-butan-2-yl-N-(2-chloroethyl)benzenesulfonamide
CID 162435605

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide (CID 124777718) is (2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide is CC[C@H](C)c1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1.
What is the InChIKey of (2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide?
The InChIKey is FTWPUZXBIZXCJT-WHOFXGATSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-11(2)12-4-7-14(8-5-12)23(20,21)18-10-13-6-9-15(22-13)16(17)19/h4-5,7-8,11,13,15,18H,3,6,9-10H2,1-2H3,(H2,17,19)/t11-,13-,15-/m0/s1.
What are the key properties of (2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide?
(2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 124777718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).