(3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide

C18H22N2O4S — CID 96535639

IUPAC(3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
SMILESCOc1cccc(NC(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)c1
InChIInChI=1S/C18H22N2O4S/c1-23-15-5-2-4-13(10-15)19-18(22)20-7-8-24-12-14(20)11-16(21)17-6-3-9-25-17/h2-6,9-10,14,16,21H,7-8,11-12H2,1H3,(H,19,22)/t14-,16+/m1/s1
InChIKeyTUMJZZRTBRRKFP-ZBFHGGJFSA-N
MW362.45 g/mol
LogP3.11
Rot. Bonds5

About (3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide

(3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide (PubChem CID 96535639) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is (3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
PubChem CID96535639
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name(3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
SMILESCOc1cccc(NC(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)c1
InChIInChI=1S/C18H22N2O4S/c1-23-15-5-2-4-13(10-15)19-18(22)20-7-8-24-12-14(20)11-16(21)17-6-3-9-25-17/h2-6,9-10,14,16,21H,7-8,11-12H2,1H3,(H,19,22)/t14-,16+/m1/s1
InChIKeyTUMJZZRTBRRKFP-ZBFHGGJFSA-N
XLogP3.11
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 96535699
2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
CID 111977230
N-(4-hydroxycyclohexyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 71855344
(3S)-N-(4-acetamido-3-methoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97058385
(2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one
CID 122140829
N-(3-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 71916804
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
(E)-3-(3-chlorophenyl)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]prop-2-en-1-one
CID 75535810
(2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1433469
(6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide
CID 75536887
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone
CID 110011953

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide?
The IUPAC name of (3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide (CID 96535639) is (3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide?
The canonical SMILES for (3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide is COc1cccc(NC(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)c1.
What is the InChIKey of (3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide?
The InChIKey is TUMJZZRTBRRKFP-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-23-15-5-2-4-13(10-15)19-18(22)20-7-8-24-12-14(20)11-16(21)17-6-3-9-25-17/h2-6,9-10,14,16,21H,7-8,11-12H2,1H3,(H,19,22)/t14-,16+/m1/s1.
What are the key properties of (3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide?
(3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 96535639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).