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

C17H18ClFN3O2S- — CID 53352740

IUPAC2-[[2-(4-fluorophenyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
SMILESCN1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2C(N)=O)C1.[Cl-]
InChIInChI=1S/C17H18FN3O2S.ClH/c1-21-7-6-12-13(9-21)24-17(15(12)16(19)23)20-14(22)8-10-2-4-11(18)5-3-10;/h2-5H,6-9H2,1H3,(H2,19,23)(H,20,22);1H/p-1
InChIKeyGRWWJEHQMBTDBJ-UHFFFAOYSA-M
MW382.87 g/mol
LogP-0.84
Rot. Bonds4

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

2-[[2-(4-fluorophenyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride (PubChem CID 53352740) has the molecular formula C17H18ClFN3O2S- and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
PubChem CID53352740
Molecular FormulaC17H18ClFN3O2S-
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-[[2-(4-fluorophenyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
SMILESCN1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2C(N)=O)C1.[Cl-]
InChIInChI=1S/C17H18FN3O2S.ClH/c1-21-7-6-12-13(9-21)24-17(15(12)16(19)23)20-14(22)8-10-2-4-11(18)5-3-10;/h2-5H,6-9H2,1H3,(H2,19,23)(H,20,22);1H/p-1
InChIKeyGRWWJEHQMBTDBJ-UHFFFAOYSA-M
XLogP-0.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorobenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4120098
2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 44917658
6-methyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4231286
(6S)-2-[[2-(4-fluorophenyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7597208
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 7545569
2-[(2-cyclopropylacetyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 155961441
6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3293195
2-(cyclohexanecarbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
CID 53313261
2-[(3,5-dichlorobenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4091163
2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16833075
6-benzyl-2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 16833023
2-[[2-(4-propan-2-ylphenyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 41362422

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride?
The IUPAC name of 2-[[2-(4-fluorophenyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride (CID 53352740) is 2-[[2-(4-fluorophenyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride?
The canonical SMILES for 2-[[2-(4-fluorophenyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride is CN1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2C(N)=O)C1.[Cl-].
What is the InChIKey of 2-[[2-(4-fluorophenyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride?
The InChIKey is GRWWJEHQMBTDBJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18FN3O2S.ClH/c1-21-7-6-12-13(9-21)24-17(15(12)16(19)23)20-14(22)8-10-2-4-11(18)5-3-10;/h2-5H,6-9H2,1H3,(H2,19,23)(H,20,22);1H/p-1.
What are the key properties of 2-[[2-(4-fluorophenyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride?
2-[[2-(4-fluorophenyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride has a molecular weight of 382.87 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride is sourced from PubChem (CID 53352740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).