N,N-diethyl-3-[(3R,4R)-2-oxo-3-phenoxy-4-thiophen-3-ylazetidin-1-yl]propanamide

C20H24N2O3S — CID 52504424

IUPACN,N-diethyl-3-[(3R,4R)-2-oxo-3-phenoxy-4-thiophen-3-ylazetidin-1-yl]propanamide
SMILESCCN(CC)C(=O)CCN1C(=O)[C@H](Oc2ccccc2)[C@H]1c1ccsc1
InChIInChI=1S/C20H24N2O3S/c1-3-21(4-2)17(23)10-12-22-18(15-11-13-26-14-15)19(20(22)24)25-16-8-6-5-7-9-16/h5-9,11,13-14,18-19H,3-4,10,12H2,1-2H3/t18-,19-/m1/s1
InChIKeyAKGITEZXBSNXSO-RTBURBONSA-N
MW372.49 g/mol
LogP3.34
Rot. Bonds8

About N,N-diethyl-3-[(3R,4R)-2-oxo-3-phenoxy-4-thiophen-3-ylazetidin-1-yl]propanamide

N,N-diethyl-3-[(3R,4R)-2-oxo-3-phenoxy-4-thiophen-3-ylazetidin-1-yl]propanamide (PubChem CID 52504424) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N,N-diethyl-3-[(3R,4R)-2-oxo-3-phenoxy-4-thiophen-3-ylazetidin-1-yl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(3R,4R)-2-oxo-3-phenoxy-4-thiophen-3-ylazetidin-1-yl]propanamide
PubChem CID52504424
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN,N-diethyl-3-[(3R,4R)-2-oxo-3-phenoxy-4-thiophen-3-ylazetidin-1-yl]propanamide
SMILESCCN(CC)C(=O)CCN1C(=O)[C@H](Oc2ccccc2)[C@H]1c1ccsc1
InChIInChI=1S/C20H24N2O3S/c1-3-21(4-2)17(23)10-12-22-18(15-11-13-26-14-15)19(20(22)24)25-16-8-6-5-7-9-16/h5-9,11,13-14,18-19H,3-4,10,12H2,1-2H3/t18-,19-/m1/s1
InChIKeyAKGITEZXBSNXSO-RTBURBONSA-N
XLogP3.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(3R,4R)-2-oxo-3-phenoxy-4-thiophen-3-ylazetidin-1-yl]propanamide?
The IUPAC name of N,N-diethyl-3-[(3R,4R)-2-oxo-3-phenoxy-4-thiophen-3-ylazetidin-1-yl]propanamide (CID 52504424) is N,N-diethyl-3-[(3R,4R)-2-oxo-3-phenoxy-4-thiophen-3-ylazetidin-1-yl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(3R,4R)-2-oxo-3-phenoxy-4-thiophen-3-ylazetidin-1-yl]propanamide?
The canonical SMILES for N,N-diethyl-3-[(3R,4R)-2-oxo-3-phenoxy-4-thiophen-3-ylazetidin-1-yl]propanamide is CCN(CC)C(=O)CCN1C(=O)[C@H](Oc2ccccc2)[C@H]1c1ccsc1.
What is the InChIKey of N,N-diethyl-3-[(3R,4R)-2-oxo-3-phenoxy-4-thiophen-3-ylazetidin-1-yl]propanamide?
The InChIKey is AKGITEZXBSNXSO-RTBURBONSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-21(4-2)17(23)10-12-22-18(15-11-13-26-14-15)19(20(22)24)25-16-8-6-5-7-9-16/h5-9,11,13-14,18-19H,3-4,10,12H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of N,N-diethyl-3-[(3R,4R)-2-oxo-3-phenoxy-4-thiophen-3-ylazetidin-1-yl]propanamide?
N,N-diethyl-3-[(3R,4R)-2-oxo-3-phenoxy-4-thiophen-3-ylazetidin-1-yl]propanamide has a molecular weight of 372.49 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(3R,4R)-2-oxo-3-phenoxy-4-thiophen-3-ylazetidin-1-yl]propanamide is sourced from PubChem (CID 52504424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).