N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C17H17FN2O3S2 — CID 75479542

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)c1cc2c(s1)CCC2
InChIInChI=1S/C17H17FN2O3S2/c18-13-6-5-12(20-7-2-8-25(20,22)23)10-14(13)19-17(21)16-9-11-3-1-4-15(11)24-16/h5-6,9-10H,1-4,7-8H2,(H,19,21)
InChIKeyGPJFEWXMQPGZJI-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.17
Rot. Bonds3

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 75479542) has the molecular formula C17H17FN2O3S2 and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID75479542
Molecular FormulaC17H17FN2O3S2
Molecular Weight380.47 g/mol
Exact Mass380.07
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)c1cc2c(s1)CCC2
InChIInChI=1S/C17H17FN2O3S2/c18-13-6-5-12(20-7-2-8-25(20,22)23)10-14(13)19-17(21)16-9-11-3-1-4-15(11)24-16/h5-6,9-10H,1-4,7-8H2,(H,19,21)
InChIKeyGPJFEWXMQPGZJI-UHFFFAOYSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 75479542) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)c1cc2c(s1)CCC2.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is GPJFEWXMQPGZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S2/c18-13-6-5-12(20-7-2-8-25(20,22)23)10-14(13)19-17(21)16-9-11-3-1-4-15(11)24-16/h5-6,9-10H,1-4,7-8H2,(H,19,21).
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 75479542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).