N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide

C16H24N2O3S — CID 124847644

IUPACN-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide
SMILESCCOc1ccc([C@@H](COC)NC(=O)N2CCSCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-3-21-14-6-4-13(5-7-14)15(12-20-2)17-16(19)18-8-10-22-11-9-18/h4-7,15H,3,8-12H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyLFSQECYOVYGOLW-OAHLLOKOSA-N
MW324.45 g/mol
LogP2.53
Rot. Bonds6

About N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide

N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide (PubChem CID 124847644) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide
PubChem CID124847644
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide
SMILESCCOc1ccc([C@@H](COC)NC(=O)N2CCSCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-3-21-14-6-4-13(5-7-14)15(12-20-2)17-16(19)18-8-10-22-11-9-18/h4-7,15H,3,8-12H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyLFSQECYOVYGOLW-OAHLLOKOSA-N
XLogP2.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
CID 167894520
(2R)-N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]oxolane-2-carboxamide
CID 124881098
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide
CID 100646270
4-[[[1-(4-ethoxyphenyl)-2-methoxyethyl]amino]methyl]benzoic acid
CID 122034082
N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119052898
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide
CID 124730066
N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]pyrazine-2-carboxamide
CID 124854277
N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide
CID 95155246
N-(2-methoxy-1-phenylethyl)-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide
CID 154801380
N-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine
CID 122134000
1-[[1-(4-fluorophenyl)-2-methoxyethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 154782276
N-(1,2-diphenylethyl)-1,4-thiazepane-4-carboxamide
CID 87000158

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide (CID 124847644) is N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide is CCOc1ccc([C@@H](COC)NC(=O)N2CCSCC2)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide?
The InChIKey is LFSQECYOVYGOLW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-21-14-6-4-13(5-7-14)15(12-20-2)17-16(19)18-8-10-22-11-9-18/h4-7,15H,3,8-12H2,1-2H3,(H,17,19)/t15-/m1/s1.
What are the key properties of N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide?
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 124847644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).