N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C18H24N2O3S — CID 51092973

IUPACN-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCSC1)C1Cc2ccccc2O1
InChIInChI=1S/C18H24N2O3S/c21-17(16-11-14-3-1-2-4-15(14)23-16)19-12-18(5-10-24-13-18)20-6-8-22-9-7-20/h1-4,16H,5-13H2,(H,19,21)
InChIKeyRKAUDOQGECCZLL-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.31
Rot. Bonds4

About N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 51092973) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID51092973
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCSC1)C1Cc2ccccc2O1
InChIInChI=1S/C18H24N2O3S/c21-17(16-11-14-3-1-2-4-15(14)23-16)19-12-18(5-10-24-13-18)20-6-8-22-9-7-20/h1-4,16H,5-13H2,(H,19,21)
InChIKeyRKAUDOQGECCZLL-UHFFFAOYSA-N
XLogP1.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119862768
2-benzhydryloxy-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154623
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 51125025
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethyl-2-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine;hydroiodide
CID 111949948
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134015589
N-[(1-phenylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42938379
2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
CID 119862763
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide
CID 55658366
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride
CID 120669899
2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 119862791
1-[(2S)-1-hydroxybutan-2-yl]-3-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 95139939

Frequently Asked Questions

What is the IUPAC name of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 51092973) is N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCC1(N2CCOCC2)CCSC1)C1Cc2ccccc2O1.
What is the InChIKey of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is RKAUDOQGECCZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c21-17(16-11-14-3-1-2-4-15(14)23-16)19-12-18(5-10-24-13-18)20-6-8-22-9-7-20/h1-4,16H,5-13H2,(H,19,21).
What are the key properties of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51092973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).