2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

C20H25ClFN3O4S2 — CID 16833006

IUPAC2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCC(C)N1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1.Cl
InChIInChI=1S/C20H24FN3O4S2.ClH/c1-12(2)24-9-7-15-16(11-24)29-20(18(15)19(22)26)23-17(25)8-10-30(27,28)14-5-3-13(21)4-6-14;/h3-6,12H,7-11H2,1-2H3,(H2,22,26)(H,23,25);1H
InChIKeyIXQKGXIRDNBEBI-UHFFFAOYSA-N
MW490.02 g/mol
LogP2.98
Rot. Bonds7

About 2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 16833006) has the molecular formula C20H25ClFN3O4S2 and a molecular weight of 490.02 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
PubChem CID16833006
Molecular FormulaC20H25ClFN3O4S2
Molecular Weight490.02 g/mol
Exact Mass489.10
IUPAC Name2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCC(C)N1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1.Cl
InChIInChI=1S/C20H24FN3O4S2.ClH/c1-12(2)24-9-7-15-16(11-24)29-20(18(15)19(22)26)23-17(25)8-10-30(27,28)14-5-3-13(21)4-6-14;/h3-6,12H,7-11H2,1-2H3,(H2,22,26)(H,23,25);1H
InChIKeyIXQKGXIRDNBEBI-UHFFFAOYSA-N
XLogP2.98
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.02
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16833075
2-[[2-(benzenesulfonyl)acetyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 7544525
2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16832989
2-(propanoylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4154428
2-[3-(benzenesulfonyl)propanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 7189684
2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 41274454
2-[3-(4-methylphenyl)sulfanylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 7545376
6-benzyl-2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 16833023
2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2078242
2-[(4-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 44987638
2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806277
3-(benzenesulfonyl)-N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide
CID 43947227

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 16833006) is 2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is CC(C)N1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1.Cl.
What is the InChIKey of 2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is IXQKGXIRDNBEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S2.ClH/c1-12(2)24-9-7-15-16(11-24)29-20(18(15)19(22)26)23-17(25)8-10-30(27,28)14-5-3-13(21)4-6-14;/h3-6,12H,7-11H2,1-2H3,(H2,22,26)(H,23,25);1H.
What are the key properties of 2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 490.02 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 16833006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).