6-[3-(2-amino-2-oxoethyl)sulfanylthiophene-2-carbonyl]-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

C15H15N3O4S3 — CID 58157731

IUPAC6-[3-(2-amino-2-oxoethyl)sulfanylthiophene-2-carbonyl]-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)CSc1ccsc1C(=O)N1CCc2cc(C(=O)NO)sc2C1
InChIInChI=1S/C15H15N3O4S3/c16-12(19)7-24-9-2-4-23-13(9)15(21)18-3-1-8-5-10(14(20)17-22)25-11(8)6-18/h2,4-5,22H,1,3,6-7H2,(H2,16,19)(H,17,20)
InChIKeyVQVLRTHDTWSKJT-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.70
Rot. Bonds5

About 6-[3-(2-amino-2-oxoethyl)sulfanylthiophene-2-carbonyl]-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

6-[3-(2-amino-2-oxoethyl)sulfanylthiophene-2-carbonyl]-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 58157731) has the molecular formula C15H15N3O4S3 and a molecular weight of 397.50 g/mol. Its IUPAC name is 6-[3-(2-amino-2-oxoethyl)sulfanylthiophene-2-carbonyl]-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-(2-amino-2-oxoethyl)sulfanylthiophene-2-carbonyl]-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
PubChem CID58157731
Molecular FormulaC15H15N3O4S3
Molecular Weight397.50 g/mol
Exact Mass397.02
IUPAC Name6-[3-(2-amino-2-oxoethyl)sulfanylthiophene-2-carbonyl]-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)CSc1ccsc1C(=O)N1CCc2cc(C(=O)NO)sc2C1
InChIInChI=1S/C15H15N3O4S3/c16-12(19)7-24-9-2-4-23-13(9)15(21)18-3-1-8-5-10(14(20)17-22)25-11(8)6-18/h2,4-5,22H,1,3,6-7H2,(H2,16,19)(H,17,20)
InChIKeyVQVLRTHDTWSKJT-UHFFFAOYSA-N
XLogP1.70
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

6-(2,2-Dimethyl-1-oxopropyl)-4,5,6,7-tetrahydro-N-hydroxythieno[2,3-c]pyridine-2-carboxamide
CID 49831259
6-(cyclohexanecarbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 49873200
5-(2,2-dimethylpropanoyl)-N-hydroxy-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 58157594
5-(cyclohexanecarbonyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 58157631
Cambridge id 7102043
CID 1332056
5-(4-Fluorobenzoyl)-N-[(thiophen-2-YL)methyl]-4H,5H,6H,7H-thieno[3,2-C]pyridine-2-carboxamide
CID 53159050
N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2675106
Thiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
CID 71690079
4-Methyl-N-{2-[4-(thiophen-2-YL)piperidin-1-YL]ethyl}thiophene-2-carboxamide
CID 71787070
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone
CID 2806362
5-acetyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158843
5-propionyl-N-(2-thienylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 53158889

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-amino-2-oxoethyl)sulfanylthiophene-2-carbonyl]-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 6-[3-(2-amino-2-oxoethyl)sulfanylthiophene-2-carbonyl]-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (CID 58157731) is 6-[3-(2-amino-2-oxoethyl)sulfanylthiophene-2-carbonyl]-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-(2-amino-2-oxoethyl)sulfanylthiophene-2-carbonyl]-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 6-[3-(2-amino-2-oxoethyl)sulfanylthiophene-2-carbonyl]-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is NC(=O)CSc1ccsc1C(=O)N1CCc2cc(C(=O)NO)sc2C1.
What is the InChIKey of 6-[3-(2-amino-2-oxoethyl)sulfanylthiophene-2-carbonyl]-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is VQVLRTHDTWSKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S3/c16-12(19)7-24-9-2-4-23-13(9)15(21)18-3-1-8-5-10(14(20)17-22)25-11(8)6-18/h2,4-5,22H,1,3,6-7H2,(H2,16,19)(H,17,20).
What are the key properties of 6-[3-(2-amino-2-oxoethyl)sulfanylthiophene-2-carbonyl]-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
6-[3-(2-amino-2-oxoethyl)sulfanylthiophene-2-carbonyl]-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-amino-2-oxoethyl)sulfanylthiophene-2-carbonyl]-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 58157731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).