2-[[2-(benzenesulfonyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

C17H20ClN3O4S2 — CID 16822081

IUPAC2-[[2-(benzenesulfonyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCN1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccccc3)c2C(N)=O)C1.Cl
InChIInChI=1S/C17H19N3O4S2.ClH/c1-20-8-7-12-13(9-20)25-17(15(12)16(18)22)19-14(21)10-26(23,24)11-5-3-2-4-6-11;/h2-6H,7-10H2,1H3,(H2,18,22)(H,19,21);1H
InChIKeyOPLLMYANTVQZBD-UHFFFAOYSA-N
MW429.95 g/mol
LogP1.67
Rot. Bonds5

About 2-[[2-(benzenesulfonyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

2-[[2-(benzenesulfonyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 16822081) has the molecular formula C17H20ClN3O4S2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[[2-(benzenesulfonyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
PubChem CID16822081
Molecular FormulaC17H20ClN3O4S2
Molecular Weight429.95 g/mol
Exact Mass429.06
IUPAC Name2-[[2-(benzenesulfonyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCN1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccccc3)c2C(N)=O)C1.Cl
InChIInChI=1S/C17H19N3O4S2.ClH/c1-20-8-7-12-13(9-20)25-17(15(12)16(18)22)19-14(21)10-26(23,24)11-5-3-2-4-6-11;/h2-6H,7-10H2,1H3,(H2,18,22)(H,19,21);1H
InChIKeyOPLLMYANTVQZBD-UHFFFAOYSA-N
XLogP1.67
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzenesulfonyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-[[2-(benzenesulfonyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 16822081) is 2-[[2-(benzenesulfonyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[[2-(benzenesulfonyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[[2-(benzenesulfonyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is CN1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccccc3)c2C(N)=O)C1.Cl.
What is the InChIKey of 2-[[2-(benzenesulfonyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is OPLLMYANTVQZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2.ClH/c1-20-8-7-12-13(9-20)25-17(15(12)16(18)22)19-14(21)10-26(23,24)11-5-3-2-4-6-11;/h2-6H,7-10H2,1H3,(H2,18,22)(H,19,21);1H.
What are the key properties of 2-[[2-(benzenesulfonyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
2-[[2-(benzenesulfonyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 429.95 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzenesulfonyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 16822081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).