[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate

C17H15FN2O4S2 — CID 71849545

IUPAC[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate
SMILESO=C(COC(=O)c1cc2c(s1)CCSC2)NC(=O)Nc1ccccc1F
InChIInChI=1S/C17H15FN2O4S2/c18-11-3-1-2-4-12(11)19-17(23)20-15(21)8-24-16(22)14-7-10-9-25-6-5-13(10)26-14/h1-4,7H,5-6,8-9H2,(H2,19,20,21,23)
InChIKeyZQDSLKYPTCPYMZ-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.18
Rot. Bonds4

About [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate (PubChem CID 71849545) has the molecular formula C17H15FN2O4S2 and a molecular weight of 394.45 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate
PubChem CID71849545
Molecular FormulaC17H15FN2O4S2
Molecular Weight394.45 g/mol
Exact Mass394.05
IUPAC Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate
SMILESO=C(COC(=O)c1cc2c(s1)CCSC2)NC(=O)Nc1ccccc1F
InChIInChI=1S/C17H15FN2O4S2/c18-11-3-1-2-4-12(11)19-17(23)20-15(21)8-24-16(22)14-7-10-9-25-6-5-13(10)26-14/h1-4,7H,5-6,8-9H2,(H2,19,20,21,23)
InChIKeyZQDSLKYPTCPYMZ-UHFFFAOYSA-N
XLogP3.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate with MolForge

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone
CID 81261552
N-[2-(aminomethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261759
[2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate
CID 97020215
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 7650093
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate
CID 7971704
(2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 114972937
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771265
N-(2-amino-4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81269223
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7720946
[2-(methylcarbamoylamino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 3289333
[2-(2-ethoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 4804290
[2-(2,6-difluoroanilino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 16515813

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate?
The IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate (CID 71849545) is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate.
What is the SMILES notation for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate?
The canonical SMILES for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate is O=C(COC(=O)c1cc2c(s1)CCSC2)NC(=O)Nc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate?
The InChIKey is ZQDSLKYPTCPYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4S2/c18-11-3-1-2-4-12(11)19-17(23)20-15(21)8-24-16(22)14-7-10-9-25-6-5-13(10)26-14/h1-4,7H,5-6,8-9H2,(H2,19,20,21,23).
What are the key properties of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate?
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate has a molecular weight of 394.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate is sourced from PubChem (CID 71849545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).