N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

C17H20N2O2S — CID 24549403

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)c1cccs1
InChIInChI=1S/C17H20N2O2S/c20-17(16-6-3-11-22-16)18-12-14-4-1-2-5-15(14)13-19-7-9-21-10-8-19/h1-6,11H,7-10,12-13H2,(H,18,20)
InChIKeyFJBAEROXJFSFDO-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.51
Rot. Bonds5

About N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 24549403) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID24549403
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)c1cccs1
InChIInChI=1S/C17H20N2O2S/c20-17(16-6-3-11-22-16)18-12-14-4-1-2-5-15(14)13-19-7-9-21-10-8-19/h1-6,11H,7-10,12-13H2,(H,18,20)
InChIKeyFJBAEROXJFSFDO-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 18117454
N-[3-[[N-ethyl-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 111374626
(3S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39982688
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide
CID 31961123
4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481155
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481167
N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide
CID 97349470
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 9143979
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide (CID 24549403) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccccc1CN1CCOCC1)c1cccs1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is FJBAEROXJFSFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-17(16-6-3-11-22-16)18-12-14-4-1-2-5-15(14)13-19-7-9-21-10-8-19/h1-6,11H,7-10,12-13H2,(H,18,20).
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 24549403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).