2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

C16H14Cl2N2O3S2 — CID 69446712

IUPAC2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESNC(=O)c1c(NC(=O)CSc2c(Cl)cccc2Cl)sc2c1CCOC2
InChIInChI=1S/C16H14Cl2N2O3S2/c17-9-2-1-3-10(18)14(9)24-7-12(21)20-16-13(15(19)22)8-4-5-23-6-11(8)25-16/h1-3H,4-7H2,(H2,19,22)(H,20,21)
InChIKeyIJXZVWYFFVYFNQ-UHFFFAOYSA-N
MW417.34 g/mol
LogP3.96
Rot. Bonds5

About 2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (PubChem CID 69446712) has the molecular formula C16H14Cl2N2O3S2 and a molecular weight of 417.34 g/mol. Its IUPAC name is 2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
PubChem CID69446712
Molecular FormulaC16H14Cl2N2O3S2
Molecular Weight417.34 g/mol
Exact Mass415.98
IUPAC Name2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESNC(=O)c1c(NC(=O)CSc2c(Cl)cccc2Cl)sc2c1CCOC2
InChIInChI=1S/C16H14Cl2N2O3S2/c17-9-2-1-3-10(18)14(9)24-7-12(21)20-16-13(15(19)22)8-4-5-23-6-11(8)25-16/h1-3H,4-7H2,(H2,19,22)(H,20,21)
InChIKeyIJXZVWYFFVYFNQ-UHFFFAOYSA-N
XLogP3.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide with MolForge

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Related Compounds

2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450407
2-[[2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 78772086
2-[(2-ethylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450304
2-(2-thiophen-2-ylethylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69453010
2-[(3-fluorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448121
2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69445676
2-(dimethylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448613
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 7545569
N-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide
CID 69447732
2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450288
2-(oxolane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69447723
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2409664

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of 2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (CID 69446712) is 2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for 2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for 2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is NC(=O)c1c(NC(=O)CSc2c(Cl)cccc2Cl)sc2c1CCOC2.
What is the InChIKey of 2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The InChIKey is IJXZVWYFFVYFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3S2/c17-9-2-1-3-10(18)14(9)24-7-12(21)20-16-13(15(19)22)8-4-5-23-6-11(8)25-16/h1-3H,4-7H2,(H2,19,22)(H,20,21).
What are the key properties of 2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide has a molecular weight of 417.34 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 69446712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).