5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide

C17H17ClN2O3S — CID 58157728

IUPAC5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide
SMILESCC1(C)CN(C(=O)c2ccc(Cl)cc2)Cc2cc(C(=O)NO)sc21
InChIInChI=1S/C17H17ClN2O3S/c1-17(2)9-20(16(22)10-3-5-12(18)6-4-10)8-11-7-13(15(21)19-23)24-14(11)17/h3-7,23H,8-9H2,1-2H3,(H,19,21)
InChIKeyKOSVSUSTVVYWEY-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.45
Rot. Bonds2

About 5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide

5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 58157728) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide
PubChem CID58157728
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide
SMILESCC1(C)CN(C(=O)c2ccc(Cl)cc2)Cc2cc(C(=O)NO)sc21
InChIInChI=1S/C17H17ClN2O3S/c1-17(2)9-20(16(22)10-3-5-12(18)6-4-10)8-11-7-13(15(21)19-23)24-14(11)17/h3-7,23H,8-9H2,1-2H3,(H,19,21)
InChIKeyKOSVSUSTVVYWEY-UHFFFAOYSA-N
XLogP3.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide
CID 58157691
5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158992
N-(2-amino-2-oxoethyl)-5-(4-chlorobenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 91911244
5-(4-chlorobenzoyl)-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53159006
N-hydroxy-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide
CID 87208707
(3-chloro-1-benzothiophen-2-yl)-[2-[hydroxy-(hydroxyamino)methyl]-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridin-5-yl]methanone
CID 90961820
(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110802854
4-chloro-N-hydroxybenzamide
CID 587178
1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55167027
6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
CID 97374342
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-(4-chlorophenyl)methanone
CID 82194162

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide (CID 58157728) is 5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide is CC1(C)CN(C(=O)c2ccc(Cl)cc2)Cc2cc(C(=O)NO)sc21.
What is the InChIKey of 5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is KOSVSUSTVVYWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-17(2)9-20(16(22)10-3-5-12(18)6-4-10)8-11-7-13(15(21)19-23)24-14(11)17/h3-7,23H,8-9H2,1-2H3,(H,19,21).
What are the key properties of 5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide?
5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 364.85 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 58157728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).