4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide

C22H27N3O5S2 — CID 55871272

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCc2sccc2C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O5S2/c26-21(5-6-22(27)24-9-7-20-18(16-24)8-14-31-20)23-15-17-1-3-19(4-2-17)32(28,29)25-10-12-30-13-11-25/h1-4,8,14H,5-7,9-13,15-16H2,(H,23,26)
InChIKeyPKDJQCLWSXQSJE-UHFFFAOYSA-N
MW477.61 g/mol
LogP1.75
Rot. Bonds7

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide (PubChem CID 55871272) has the molecular formula C22H27N3O5S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide
PubChem CID55871272
Molecular FormulaC22H27N3O5S2
Molecular Weight477.61 g/mol
Exact Mass477.14
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCc2sccc2C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O5S2/c26-21(5-6-22(27)24-9-7-20-18(16-24)8-14-31-20)23-15-17-1-3-19(4-2-17)32(28,29)25-10-12-30-13-11-25/h1-4,8,14H,5-7,9-13,15-16H2,(H,23,26)
InChIKeyPKDJQCLWSXQSJE-UHFFFAOYSA-N
XLogP1.75
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide
CID 55871262
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(3-chlorophenyl)methyl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 55884421
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butane-1,4-dione
CID 55870828
N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
CID 45028132
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 119384096
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25445780
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
N-(3-aminopropyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride
CID 119407293
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide
CID 27861900

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide (CID 55871272) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide is O=C(CCC(=O)N1CCc2sccc2C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide?
The InChIKey is PKDJQCLWSXQSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S2/c26-21(5-6-22(27)24-9-7-20-18(16-24)8-14-31-20)23-15-17-1-3-19(4-2-17)32(28,29)25-10-12-30-13-11-25/h1-4,8,14H,5-7,9-13,15-16H2,(H,23,26).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide has a molecular weight of 477.61 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide is sourced from PubChem (CID 55871272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).