N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide

C19H23N3O3S — CID 47783596

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)N1CCSCC1)NCc1ccco1
InChIInChI=1S/C19H23N3O3S/c23-17(20-13-16-7-4-10-25-16)14-21-19(24)18(15-5-2-1-3-6-15)22-8-11-26-12-9-22/h1-7,10,18H,8-9,11-14H2,(H,20,23)(H,21,24)
InChIKeyYAJIYYASRPPYKC-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.80
Rot. Bonds7

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide (PubChem CID 47783596) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
PubChem CID47783596
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)N1CCSCC1)NCc1ccco1
InChIInChI=1S/C19H23N3O3S/c23-17(20-13-16-7-4-10-25-16)14-21-19(24)18(15-5-2-1-3-6-15)22-8-11-26-12-9-22/h1-7,10,18H,8-9,11-14H2,(H,20,23)(H,21,24)
InChIKeyYAJIYYASRPPYKC-UHFFFAOYSA-N
XLogP1.80
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86885500
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide
CID 24550978
N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119384567
(2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 95302146
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
N-(furan-2-ylmethyl)-2-[[N'-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111326339
(2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide
CID 94441497
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 94821206
N-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide
CID 49119992
2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide
CID 71815599
N-(furan-2-ylmethyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
CID 30376287
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide (CID 47783596) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide is O=C(CNC(=O)C(c1ccccc1)N1CCSCC1)NCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The InChIKey is YAJIYYASRPPYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-17(20-13-16-7-4-10-25-16)14-21-19(24)18(15-5-2-1-3-6-15)22-8-11-26-12-9-22/h1-7,10,18H,8-9,11-14H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide has a molecular weight of 373.48 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 47783596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).