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

C22H19ClN2O2S — CID 3346576

IUPACN-(2-chlorophenyl)-2-[(2-phenylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESO=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCC2
InChIInChI=1S/C22H19ClN2O2S/c23-16-10-4-5-11-17(16)24-21(27)20-15-9-6-12-18(15)28-22(20)25-19(26)13-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,24,27)(H,25,26)
InChIKeyJUDYKQJRQYNRQJ-UHFFFAOYSA-N
MW410.93 g/mol
LogP5.32
Rot. Bonds5

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

N-(2-chlorophenyl)-2-[(2-phenylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 3346576) has the molecular formula C22H19ClN2O2S and a molecular weight of 410.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(2-phenylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(2-phenylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID3346576
Molecular FormulaC22H19ClN2O2S
Molecular Weight410.93 g/mol
Exact Mass410.09
IUPAC NameN-(2-chlorophenyl)-2-[(2-phenylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESO=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCC2
InChIInChI=1S/C22H19ClN2O2S/c23-16-10-4-5-11-17(16)24-21(27)20-15-9-6-12-18(15)28-22(20)25-19(26)13-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,24,27)(H,25,26)
InChIKeyJUDYKQJRQYNRQJ-UHFFFAOYSA-N
XLogP5.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.93
LogP ≤ 55.32
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-phenylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(2-phenylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 3346576) is N-(2-chlorophenyl)-2-[(2-phenylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(2-phenylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(2-phenylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCC2.
What is the InChIKey of N-(2-chlorophenyl)-2-[(2-phenylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is JUDYKQJRQYNRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2S/c23-16-10-4-5-11-17(16)24-21(27)20-15-9-6-12-18(15)28-22(20)25-19(26)13-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,24,27)(H,25,26).
What are the key properties of N-(2-chlorophenyl)-2-[(2-phenylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
N-(2-chlorophenyl)-2-[(2-phenylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 410.93 g/mol, XLogP of 5.32, 5 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-phenylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 3346576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).