(2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide

C16H24N2O4S — CID 138027732

IUPAC(2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide
SMILESCC[C@@H]1OCC[C@H]1C(=O)NC(C)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C16H24N2O4S/c1-4-15-14(8-9-22-15)16(19)17-11(2)12-6-5-7-13(10-12)18-23(3,20)21/h5-7,10-11,14-15,18H,4,8-9H2,1-3H3,(H,17,19)/t11?,14-,15+/m1/s1
InChIKeyBYQMDSOCYBFEDY-JBAPVGOWSA-N
MW340.45 g/mol
LogP2.05
Rot. Bonds6

About (2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide

(2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide (PubChem CID 138027732) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is (2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide
PubChem CID138027732
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name(2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide
SMILESCC[C@@H]1OCC[C@H]1C(=O)NC(C)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C16H24N2O4S/c1-4-15-14(8-9-22-15)16(19)17-11(2)12-6-5-7-13(10-12)18-23(3,20)21/h5-7,10-11,14-15,18H,4,8-9H2,1-3H3,(H,17,19)/t11?,14-,15+/m1/s1
InChIKeyBYQMDSOCYBFEDY-JBAPVGOWSA-N
XLogP2.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124824450
(1S,2S,4S)-N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98750484
3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 52516223
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide
CID 114104197
(2S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2-methylhexanamide
CID 100733908
N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 71939059
N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide
CID 79755724
1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea
CID 86876840
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
CID 55837471
cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 100846917
N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 51942411

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide (CID 138027732) is (2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide is CC[C@@H]1OCC[C@H]1C(=O)NC(C)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of (2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide?
The InChIKey is BYQMDSOCYBFEDY-JBAPVGOWSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-4-15-14(8-9-22-15)16(19)17-11(2)12-6-5-7-13(10-12)18-23(3,20)21/h5-7,10-11,14-15,18H,4,8-9H2,1-3H3,(H,17,19)/t11?,14-,15+/m1/s1.
What are the key properties of (2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide?
(2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 138027732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).