methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate

C19H22N2O4S — CID 124727899

IUPACmethyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCSCC2)cc1
InChIInChI=1S/C19H22N2O4S/c1-24-19(23)15-6-4-14(5-7-15)18(22)20-13-16(17-3-2-10-25-17)21-8-11-26-12-9-21/h2-7,10,16H,8-9,11-13H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyVWVPDEHJZIDTDL-MRXNPFEDSA-N
MW374.46 g/mol
LogP2.59
Rot. Bonds6

About methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate

methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate (PubChem CID 124727899) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate
PubChem CID124727899
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Namemethyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCSCC2)cc1
InChIInChI=1S/C19H22N2O4S/c1-24-19(23)15-6-4-14(5-7-15)18(22)20-13-16(17-3-2-10-25-17)21-8-11-26-12-9-21/h2-7,10,16H,8-9,11-13H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyVWVPDEHJZIDTDL-MRXNPFEDSA-N
XLogP2.59
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate with MolForge

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 124878574
N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 124873929
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 124877563
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide
CID 124727618
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 4807751
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 26834301
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide
CID 124759832

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate (CID 124727899) is methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCSCC2)cc1.
What is the InChIKey of methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate?
The InChIKey is VWVPDEHJZIDTDL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-24-19(23)15-6-4-14(5-7-15)18(22)20-13-16(17-3-2-10-25-17)21-8-11-26-12-9-21/h2-7,10,16H,8-9,11-13H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate?
methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate has a molecular weight of 374.46 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate is sourced from PubChem (CID 124727899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).