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

C18H22N2OS2 — CID 122146673

IUPAC4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1cccc(CN2CCSCC2)c1C
InChIInChI=1S/C18H22N2OS2/c1-13-11-23-12-16(13)18(21)19-17-5-3-4-15(14(17)2)10-20-6-8-22-9-7-20/h3-5,11-12H,6-10H2,1-2H3,(H,19,21)
InChIKeySMKPRJBFEQDLJT-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.17
Rot. Bonds4

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

4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide (PubChem CID 122146673) has the molecular formula C18H22N2OS2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide
PubChem CID122146673
Molecular FormulaC18H22N2OS2
Molecular Weight346.52 g/mol
Exact Mass346.12
IUPAC Name4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1cccc(CN2CCSCC2)c1C
InChIInChI=1S/C18H22N2OS2/c1-13-11-23-12-16(13)18(21)19-17-5-3-4-15(14(17)2)10-20-6-8-22-9-7-20/h3-5,11-12H,6-10H2,1-2H3,(H,19,21)
InChIKeySMKPRJBFEQDLJT-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49008896
2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119870046
2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119870115
2-(2-methylphenyl)sulfanyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 47086736
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 49065284
5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 120645731
1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119870109
4-cyano-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 122145471
N-[4-[2-methyl-3-(thiomorpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide
CID 49008672
2-amino-3-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119870106
2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
CID 119870055
(2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]oxolane-2-carboxamide
CID 120799406

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide (CID 122146673) is 4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide is Cc1cscc1C(=O)Nc1cccc(CN2CCSCC2)c1C.
What is the InChIKey of 4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is SMKPRJBFEQDLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS2/c1-13-11-23-12-16(13)18(21)19-17-5-3-4-15(14(17)2)10-20-6-8-22-9-7-20/h3-5,11-12H,6-10H2,1-2H3,(H,19,21).
What are the key properties of 4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide?
4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 346.52 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 122146673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).