N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide

C18H22N2O3S — CID 124875456

IUPACN-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC[C@H](c2ccoc2)N2CCSCC2)c1
InChIInChI=1S/C18H22N2O3S/c1-22-16-4-2-3-14(11-16)18(21)19-12-17(15-5-8-23-13-15)20-6-9-24-10-7-20/h2-5,8,11,13,17H,6-7,9-10,12H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyHFXJQYWUAXWHTR-QGZVFWFLSA-N
MW346.45 g/mol
LogP2.81
Rot. Bonds6

About N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide

N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide (PubChem CID 124875456) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide
PubChem CID124875456
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC[C@H](c2ccoc2)N2CCSCC2)c1
InChIInChI=1S/C18H22N2O3S/c1-22-16-4-2-3-14(11-16)18(21)19-12-17(15-5-8-23-13-15)20-6-9-24-10-7-20/h2-5,8,11,13,17H,6-7,9-10,12H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyHFXJQYWUAXWHTR-QGZVFWFLSA-N
XLogP2.81
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide
CID 124874245
N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N-(2-methoxyethyl)oxamide
CID 124878570
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]furan-2-carboxamide
CID 124760075
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460638
3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132
3-methoxy-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 35576988
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 124760721
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide
CID 121132736
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide?
The IUPAC name of N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide (CID 124875456) is N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide?
The canonical SMILES for N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide is COc1cccc(C(=O)NC[C@H](c2ccoc2)N2CCSCC2)c1.
What is the InChIKey of N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide?
The InChIKey is HFXJQYWUAXWHTR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-22-16-4-2-3-14(11-16)18(21)19-12-17(15-5-8-23-13-15)20-6-9-24-10-7-20/h2-5,8,11,13,17H,6-7,9-10,12H2,1H3,(H,19,21)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide?
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide has a molecular weight of 346.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide is sourced from PubChem (CID 124875456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).