N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide

C16H24N2O4S — CID 113067492

IUPACN-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCCO1)CCc1ccccc1
InChIInChI=1S/C16H24N2O4S/c1-23(20,21)18(11-9-14-6-3-2-4-7-14)12-10-17-16(19)15-8-5-13-22-15/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19)
InChIKeyGZLMKIQNUJHOLN-UHFFFAOYSA-N
MW340.44 g/mol
LogP0.79
Rot. Bonds8

About N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide

N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide (PubChem CID 113067492) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide
PubChem CID113067492
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCCO1)CCc1ccccc1
InChIInChI=1S/C16H24N2O4S/c1-23(20,21)18(11-9-14-6-3-2-4-7-14)12-10-17-16(19)15-8-5-13-22-15/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19)
InChIKeyGZLMKIQNUJHOLN-UHFFFAOYSA-N
XLogP0.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
CID 113067555
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
CID 113065889
N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide
CID 113065451
N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
2-[methylsulfonyl(2-phenylethyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 963775
N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
CID 113069347
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
CID 113055726
(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
CID 99576902
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
CID 113068395
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide
CID 113062539
2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
CID 113067498
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 39303318

Frequently Asked Questions

What is the IUPAC name of N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide (CID 113067492) is N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide is CS(=O)(=O)N(CCNC(=O)C1CCCO1)CCc1ccccc1.
What is the InChIKey of N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide?
The InChIKey is GZLMKIQNUJHOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-23(20,21)18(11-9-14-6-3-2-4-7-14)12-10-17-16(19)15-8-5-13-22-15/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19).
What are the key properties of N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide?
N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide has a molecular weight of 340.44 g/mol, XLogP of 0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113067492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).