3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide

C18H22N2O2S — CID 43057560

IUPAC3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H22N2O2S/c1-14-7-12-23-17(14)18(21)19-13-16(15-5-3-2-4-6-15)20-8-10-22-11-9-20/h2-7,12,16H,8-11,13H2,1H3,(H,19,21)
InChIKeyACXHZKZXMKJVTI-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.86
Rot. Bonds5

About 3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide

3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide (PubChem CID 43057560) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide
PubChem CID43057560
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H22N2O2S/c1-14-7-12-23-17(14)18(21)19-13-16(15-5-3-2-4-6-15)20-8-10-22-11-9-20/h2-7,12,16H,8-11,13H2,1H3,(H,19,21)
InChIKeyACXHZKZXMKJVTI-UHFFFAOYSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]thiadiazole-5-carboxamide
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N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 63120577
2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
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CID 31444098
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 30605183
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CID 30834547
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 31429944
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CID 42948395
1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
CID 51934988
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
5-chloro-N-(2-morpholin-4-yl-2-phenylethyl)furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide (CID 43057560) is 3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide is Cc1ccsc1C(=O)NCC(c1ccccc1)N1CCOCC1.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide?
The InChIKey is ACXHZKZXMKJVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14-7-12-23-17(14)18(21)19-13-16(15-5-3-2-4-6-15)20-8-10-22-11-9-20/h2-7,12,16H,8-11,13H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide?
3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 43057560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).