[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone

C18H22N2O3S — CID 75448638

IUPAC[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C(=O)N2CCOCC2)cc1NCCc1cccs1
InChIInChI=1S/C18H22N2O3S/c1-22-17-5-4-14(18(21)20-8-10-23-11-9-20)13-16(17)19-7-6-15-3-2-12-24-15/h2-5,12-13,19H,6-11H2,1H3
InChIKeyKEQUVZMTJJIDJH-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.88
Rot. Bonds6

About [4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone

[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone (PubChem CID 75448638) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is [4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone
PubChem CID75448638
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C(=O)N2CCOCC2)cc1NCCc1cccs1
InChIInChI=1S/C18H22N2O3S/c1-22-17-5-4-14(18(21)20-8-10-23-11-9-20)13-16(17)19-7-6-15-3-2-12-24-15/h2-5,12-13,19H,6-11H2,1H3
InChIKeyKEQUVZMTJJIDJH-UHFFFAOYSA-N
XLogP2.88
TPSA50.80 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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone
CID 122135369
[4-methoxy-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]phenyl]-morpholin-4-ylmethanone
CID 75447304
[3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone
CID 60600662
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
N-[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]acetamide
CID 75499167
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylbenzamide
CID 50875897
2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 91641888
2-(4-aminophenyl)-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 119755689
3-amino-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 119950750
(4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78801509
4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline
CID 63774739

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone (CID 75448638) is [4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone is COc1ccc(C(=O)N2CCOCC2)cc1NCCc1cccs1.
What is the InChIKey of [4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone?
The InChIKey is KEQUVZMTJJIDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-22-17-5-4-14(18(21)20-8-10-23-11-9-20)13-16(17)19-7-6-15-3-2-12-24-15/h2-5,12-13,19H,6-11H2,1H3.
What are the key properties of [4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone?
[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone has a molecular weight of 346.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 75448638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).