N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide

C20H26N2O2S — CID 27889825

IUPACN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H26N2O2S/c23-20(5-1-3-19-4-2-14-25-19)21-15-17-6-8-18(9-7-17)16-22-10-12-24-13-11-22/h2,4,6-9,14H,1,3,5,10-13,15-16H2,(H,21,23)
InChIKeyULNCSIXFWHQPAE-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.22
Rot. Bonds8

About N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide

N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide (PubChem CID 27889825) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
PubChem CID27889825
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H26N2O2S/c23-20(5-1-3-19-4-2-14-25-19)21-15-17-6-8-18(9-7-17)16-22-10-12-24-13-11-22/h2,4,6-9,14H,1,3,5,10-13,15-16H2,(H,21,23)
InChIKeyULNCSIXFWHQPAE-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(bromomethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 107233721
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 18117454
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768832
N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide
CID 110297704
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554
N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 46465242
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 78863438
N-[4-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-4-oxobutyl]adamantane-1-carboxamide
CID 31446028
1-(4-benzylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 78774501
4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 27890430
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 51332838
4-(5-bromothiophen-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 18284230

Frequently Asked Questions

What is the IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide (CID 27889825) is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide?
The InChIKey is ULNCSIXFWHQPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c23-20(5-1-3-19-4-2-14-25-19)21-15-17-6-8-18(9-7-17)16-22-10-12-24-13-11-22/h2,4,6-9,14H,1,3,5,10-13,15-16H2,(H,21,23).
What are the key properties of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide?
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide has a molecular weight of 358.51 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 27889825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).