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

C17H20N2O2S — CID 18117454

IUPACN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C17H20N2O2S/c20-17(16-2-1-11-22-16)18-12-14-3-5-15(6-4-14)13-19-7-9-21-10-8-19/h1-6,11H,7-10,12-13H2,(H,18,20)
InChIKeyJABVDKIBIFERFL-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.51
Rot. Bonds5

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

N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 18117454) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID18117454
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C17H20N2O2S/c20-17(16-2-1-11-22-16)18-12-14-3-5-15(6-4-14)13-19-7-9-21-10-8-19/h1-6,11H,7-10,12-13H2,(H,18,20)
InChIKeyJABVDKIBIFERFL-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-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 24549403
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide
CID 27861900
N-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 86978815
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 27889825
4,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 31445799
N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 78804636
5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 29475175
N-benzylthiophene-2-carboxamide
CID 574227
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17437691
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9400507

Frequently Asked Questions

What is the IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide (CID 18117454) is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccc(CN2CCOCC2)cc1)c1cccs1.
What is the InChIKey of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is JABVDKIBIFERFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-17(16-2-1-11-22-16)18-12-14-3-5-15(6-4-14)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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
N-[[4-(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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 18117454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).