N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide

C17H22N2O3S — CID 124760721

IUPACN-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](c2ccoc2)N2CCSCC2)c(C)o1
InChIInChI=1S/C17H22N2O3S/c1-12-9-15(13(2)22-12)17(20)18-10-16(14-3-6-21-11-14)19-4-7-23-8-5-19/h3,6,9,11,16H,4-5,7-8,10H2,1-2H3,(H,18,20)/t16-/m0/s1
InChIKeyOYEYAAAZDVDFFL-INIZCTEOSA-N
MW334.44 g/mol
LogP3.01
Rot. Bonds5

About N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide

N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 124760721) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID124760721
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](c2ccoc2)N2CCSCC2)c(C)o1
InChIInChI=1S/C17H22N2O3S/c1-12-9-15(13(2)22-12)17(20)18-10-16(14-3-6-21-11-14)19-4-7-23-8-5-19/h3,6,9,11,16H,4-5,7-8,10H2,1-2H3,(H,18,20)/t16-/m0/s1
InChIKeyOYEYAAAZDVDFFL-INIZCTEOSA-N
XLogP3.01
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide
CID 124878348
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]furan-2-carboxamide
CID 124760075
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide
CID 124874245
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide
CID 124875456
N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N-(2-methoxyethyl)oxamide
CID 124878570
(E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide
CID 124760459
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 2998590
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 124874264
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide
CID 124878531
1-(4-butoxyphenyl)-3-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]urea
CID 124878555
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
CID 124873494

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide (CID 124760721) is N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC[C@@H](c2ccoc2)N2CCSCC2)c(C)o1.
What is the InChIKey of N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is OYEYAAAZDVDFFL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-12-9-15(13(2)22-12)17(20)18-10-16(14-3-6-21-11-14)19-4-7-23-8-5-19/h3,6,9,11,16H,4-5,7-8,10H2,1-2H3,(H,18,20)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide?
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 124760721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).