(3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide

C15H21NO4S — CID 100734487

IUPAC(3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCS(=O)(=O)CCc1ccccc1)[C@H]1CCOC1
InChIInChI=1S/C15H21NO4S/c17-15(14-6-9-20-12-14)16-8-11-21(18,19)10-7-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,16,17)/t14-/m0/s1
InChIKeyKSNHHLPMEPGDIJ-AWEZNQCLSA-N
MW311.40 g/mol
LogP0.80
Rot. Bonds7

About (3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide

(3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide (PubChem CID 100734487) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is (3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide
PubChem CID100734487
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name(3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCS(=O)(=O)CCc1ccccc1)[C@H]1CCOC1
InChIInChI=1S/C15H21NO4S/c17-15(14-6-9-20-12-14)16-8-11-21(18,19)10-7-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,16,17)/t14-/m0/s1
InChIKeyKSNHHLPMEPGDIJ-AWEZNQCLSA-N
XLogP0.80
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide
CID 95272165
4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride
CID 61272579
N-(2-sulfamoylethyl)oxolane-3-carboxamide
CID 61277309
N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide
CID 118780297
4-[2-(oxane-3-carbonylamino)ethyl]benzenesulfonyl chloride
CID 63011176
(3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
CID 124758437
3-[2-(oxane-3-carbonylamino)ethyl]benzoic acid
CID 63794571
3-[2-[[(3S)-oxane-3-carbonyl]amino]ethyl]benzoic acid
CID 129379154
N-[(4-hydroxyphenyl)methyl]oxolane-3-carboxamide
CID 115595322
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507
(3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide
CID 100723065
(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide
CID 930235

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide (CID 100734487) is (3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide is O=C(NCCS(=O)(=O)CCc1ccccc1)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide?
The InChIKey is KSNHHLPMEPGDIJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO4S/c17-15(14-6-9-20-12-14)16-8-11-21(18,19)10-7-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,16,17)/t14-/m0/s1.
What are the key properties of (3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide?
(3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide has a molecular weight of 311.40 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 100734487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).