[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate

C21H19ClN2O5S — CID 24520821

IUPAC[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate
SMILESCC(OC(=O)C1=Cc2cc(Cl)ccc2OC1)C(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C21H19ClN2O5S/c1-10(19(26)24-20-17(18(23)25)14-3-2-4-16(14)30-20)29-21(27)12-7-11-8-13(22)5-6-15(11)28-9-12/h5-8,10H,2-4,9H2,1H3,(H2,23,25)(H,24,26)
InChIKeyYZOSAUHOLHGNJD-UHFFFAOYSA-N
MW446.91 g/mol
LogP3.34
Rot. Bonds5

About [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate

[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate (PubChem CID 24520821) has the molecular formula C21H19ClN2O5S and a molecular weight of 446.91 g/mol. Its IUPAC name is [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate
PubChem CID24520821
Molecular FormulaC21H19ClN2O5S
Molecular Weight446.91 g/mol
Exact Mass446.07
IUPAC Name[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate
SMILESCC(OC(=O)C1=Cc2cc(Cl)ccc2OC1)C(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C21H19ClN2O5S/c1-10(19(26)24-20-17(18(23)25)14-3-2-4-16(14)30-20)29-21(27)12-7-11-8-13(22)5-6-15(11)28-9-12/h5-8,10H,2-4,9H2,1H3,(H2,23,25)(H,24,26)
InChIKeyYZOSAUHOLHGNJD-UHFFFAOYSA-N
XLogP3.34
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.91
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate with MolForge

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Related Compounds

[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 43015086
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate
CID 55443951
[(2S)-1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 8732602
[(2S)-1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] thiophene-3-carboxylate
CID 9383483
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate
CID 55443762
[(2S)-1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 8960079
2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 1293750
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate
CID 55443990
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 17397689
[(2S)-1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 8739080
[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate
CID 24626793
N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide
CID 75404406

Frequently Asked Questions

What is the IUPAC name of [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate?
The IUPAC name of [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate (CID 24520821) is [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate.
What is the SMILES notation for [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate?
The canonical SMILES for [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate is CC(OC(=O)C1=Cc2cc(Cl)ccc2OC1)C(=O)Nc1sc2c(c1C(N)=O)CCC2.
What is the InChIKey of [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate?
The InChIKey is YZOSAUHOLHGNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O5S/c1-10(19(26)24-20-17(18(23)25)14-3-2-4-16(14)30-20)29-21(27)12-7-11-8-13(22)5-6-15(11)28-9-12/h5-8,10H,2-4,9H2,1H3,(H2,23,25)(H,24,26).
What are the key properties of [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate?
[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate has a molecular weight of 446.91 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate is sourced from PubChem (CID 24520821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).