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

C17H20N2O2S — CID 86978782

IUPAC3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C17H20N2O2S/c1-13-6-11-22-16(13)17(20)18-15-4-2-14(3-5-15)12-19-7-9-21-10-8-19/h2-6,11H,7-10,12H2,1H3,(H,18,20)
InChIKeyTVJMFNNHJMJDTH-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.14
Rot. Bonds4

About 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide

3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 86978782) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID86978782
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C17H20N2O2S/c1-13-6-11-22-16(13)17(20)18-15-4-2-14(3-5-15)12-19-7-9-21-10-8-19/h2-6,11H,7-10,12H2,1H3,(H,18,20)
InChIKeyTVJMFNNHJMJDTH-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 166858230
2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119832087
3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide
CID 75369910
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 25434857
N-[4-(morpholin-4-ylmethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 86911319
N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 141217445
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78912261
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide (CID 86978782) is 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is TVJMFNNHJMJDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13-6-11-22-16(13)17(20)18-15-4-2-14(3-5-15)12-19-7-9-21-10-8-19/h2-6,11H,7-10,12H2,1H3,(H,18,20).
What are the key properties of 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 86978782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).