3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide

C20H26N2O3S — CID 30606558

IUPAC3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide
SMILESCc1ccc(OCCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-16-4-6-17(7-5-16)25-11-8-20(23)21-15-18(19-3-2-14-26-19)22-9-12-24-13-10-22/h2-7,14,18H,8-13,15H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyMNAUMBVIPYLTHL-SFHVURJKSA-N
MW374.51 g/mol
LogP3.02
Rot. Bonds8

About 3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide

3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide (PubChem CID 30606558) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide
PubChem CID30606558
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide
SMILESCc1ccc(OCCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-16-4-6-17(7-5-16)25-11-8-20(23)21-15-18(19-3-2-14-26-19)22-9-12-24-13-10-22/h2-7,14,18H,8-13,15H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyMNAUMBVIPYLTHL-SFHVURJKSA-N
XLogP3.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 17014749
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-phenoxyacetamide
CID 2316164
2-(4-ethylphenoxy)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 34951723
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 34949327
2-(4-acetylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 17405367
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenoxypropanamide
CID 95577240
2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 31419969
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(4-nitrophenoxy)acetamide
CID 17014744
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 52984965
2-(3-methoxyphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 30834421
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 38094090

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide?
The IUPAC name of 3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide (CID 30606558) is 3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for 3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide?
The canonical SMILES for 3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide is Cc1ccc(OCCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide?
The InChIKey is MNAUMBVIPYLTHL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-16-4-6-17(7-5-16)25-11-8-20(23)21-15-18(19-3-2-14-26-19)22-9-12-24-13-10-22/h2-7,14,18H,8-13,15H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of 3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide?
3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide has a molecular weight of 374.51 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 30606558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).