N-(2-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C16H12ClF3N2O2S — CID 1107239

IUPACN-(2-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1c(NC(=O)C(F)(F)F)sc2c1CCC2
InChIInChI=1S/C16H12ClF3N2O2S/c17-9-5-1-2-6-10(9)21-13(23)12-8-4-3-7-11(8)25-14(12)22-15(24)16(18,19)20/h1-2,5-6H,3-4,7H2,(H,21,23)(H,22,24)
InChIKeyOJWUCIBDMOEWTB-UHFFFAOYSA-N
MW388.80 g/mol
LogP4.64
Rot. Bonds3

About N-(2-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

N-(2-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 1107239) has the molecular formula C16H12ClF3N2O2S and a molecular weight of 388.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID1107239
Molecular FormulaC16H12ClF3N2O2S
Molecular Weight388.80 g/mol
Exact Mass388.03
IUPAC NameN-(2-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1c(NC(=O)C(F)(F)F)sc2c1CCC2
InChIInChI=1S/C16H12ClF3N2O2S/c17-9-5-1-2-6-10(9)21-13(23)12-8-4-3-7-11(8)25-14(12)22-15(24)16(18,19)20/h1-2,5-6H,3-4,7H2,(H,21,23)(H,22,24)
InChIKeyOJWUCIBDMOEWTB-UHFFFAOYSA-N
XLogP4.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.80
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 1107239) is N-(2-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is O=C(Nc1ccccc1Cl)c1c(NC(=O)C(F)(F)F)sc2c1CCC2.
What is the InChIKey of N-(2-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is OJWUCIBDMOEWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O2S/c17-9-5-1-2-6-10(9)21-13(23)12-8-4-3-7-11(8)25-14(12)22-15(24)16(18,19)20/h1-2,5-6H,3-4,7H2,(H,21,23)(H,22,24).
What are the key properties of N-(2-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
N-(2-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 388.80 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 1107239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).