2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide

C22H30N2O3S — CID 24687931

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
SMILESCc1cc(OCC(=O)NCC(c2cccs2)N2CCOCC2)ccc1C(C)C
InChIInChI=1S/C22H30N2O3S/c1-16(2)19-7-6-18(13-17(19)3)27-15-22(25)23-14-20(21-5-4-12-28-21)24-8-10-26-11-9-24/h4-7,12-13,16,20H,8-11,14-15H2,1-3H3,(H,23,25)
InChIKeyKQNURCWLDAPMGG-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.75
Rot. Bonds8

About 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide

2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide (PubChem CID 24687931) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
PubChem CID24687931
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
SMILESCc1cc(OCC(=O)NCC(c2cccs2)N2CCOCC2)ccc1C(C)C
InChIInChI=1S/C22H30N2O3S/c1-16(2)19-7-6-18(13-17(19)3)27-15-22(25)23-14-20(21-5-4-12-28-21)24-8-10-26-11-9-24/h4-7,12-13,16,20H,8-11,14-15H2,1-3H3,(H,23,25)
InChIKeyKQNURCWLDAPMGG-UHFFFAOYSA-N
XLogP3.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

RU-Ski 43
CID 46006640
2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 67516707
2-(4-methylphenoxy)-N-[(thiophen-2-yl)methyl]acetamide
CID 2092599
4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 3649035
N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 67510513
N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510848
N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510929
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-3-ylmethyl)acetamide
CID 67510971
N-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511212
2-(4-methylphenoxy)-N-propyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511470
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67512058

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide (CID 24687931) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide is Cc1cc(OCC(=O)NCC(c2cccs2)N2CCOCC2)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The InChIKey is KQNURCWLDAPMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-16(2)19-7-6-18(13-17(19)3)27-15-22(25)23-14-20(21-5-4-12-28-21)24-8-10-26-11-9-24/h4-7,12-13,16,20H,8-11,14-15H2,1-3H3,(H,23,25).
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide has a molecular weight of 402.56 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 24687931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).