4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide

C23H29N3O3S — CID 55891202

IUPAC4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)CCC(=O)N2CCc3sccc3C2)cc1
InChIInChI=1S/C23H29N3O3S/c1-4-23(2,3)25-22(29)16-5-7-18(8-6-16)24-20(27)9-10-21(28)26-13-11-19-17(15-26)12-14-30-19/h5-8,12,14H,4,9-11,13,15H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyABJAOJPVFMQEAH-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.97
Rot. Bonds7

About 4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide

4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide (PubChem CID 55891202) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide
PubChem CID55891202
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)CCC(=O)N2CCc3sccc3C2)cc1
InChIInChI=1S/C23H29N3O3S/c1-4-23(2,3)25-22(29)16-5-7-18(8-6-16)24-20(27)9-10-21(28)26-13-11-19-17(15-26)12-14-30-19/h5-8,12,14H,4,9-11,13,15H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyABJAOJPVFMQEAH-UHFFFAOYSA-N
XLogP3.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 55883129
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(4-phenylphenyl)butanamide
CID 52694536
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide
CID 110002435
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 55873910
3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888504
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 55872850
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide
CID 55902295
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-oxobutanamide
CID 52694457
N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide
CID 55877866
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 55872616
N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 87026066
N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 119384096

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide (CID 55891202) is 4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)CCC(=O)N2CCc3sccc3C2)cc1.
What is the InChIKey of 4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is ABJAOJPVFMQEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-4-23(2,3)25-22(29)16-5-7-18(8-6-16)24-20(27)9-10-21(28)26-13-11-19-17(15-26)12-14-30-19/h5-8,12,14H,4,9-11,13,15H2,1-3H3,(H,24,27)(H,25,29).
What are the key properties of 4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide?
4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 427.57 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 55891202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).