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

C19H20ClN3O6S2 — CID 43015086

IUPAC[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC(C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1
InChIInChI=1S/C19H20ClN3O6S2/c1-9(17(25)23-18-15(16(21)24)11-4-3-5-14(11)30-18)29-19(26)12-8-10(6-7-13(12)20)31(27,28)22-2/h6-9,22H,3-5H2,1-2H3,(H2,21,24)(H,23,25)
InChIKeyKDSBYMCPIOLEFT-UHFFFAOYSA-N
MW485.97 g/mol
LogP2.08
Rot. Bonds7

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

[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate (PubChem CID 43015086) has the molecular formula C19H20ClN3O6S2 and a molecular weight of 485.97 g/mol. Its IUPAC name is [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate
PubChem CID43015086
Molecular FormulaC19H20ClN3O6S2
Molecular Weight485.97 g/mol
Exact Mass485.05
IUPAC Name[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC(C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1
InChIInChI=1S/C19H20ClN3O6S2/c1-9(17(25)23-18-15(16(21)24)11-4-3-5-14(11)30-18)29-19(26)12-8-10(6-7-13(12)20)31(27,28)22-2/h6-9,22H,3-5H2,1-2H3,(H2,21,24)(H,23,25)
InChIKeyKDSBYMCPIOLEFT-UHFFFAOYSA-N
XLogP2.08
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.97
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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
[(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
[(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
[(2S)-1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738316
[(2R)-1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(4-ethylphenyl)propanoate
CID 8998827
[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7975082
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 2109514
[(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
2-[(5-chloro-2-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1239727

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] 2-chloro-5-(methylsulfamoyl)benzoate?
The IUPAC name of [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate (CID 43015086) is [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate.
What is the SMILES notation for [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate?
The canonical SMILES for [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1ccc(Cl)c(C(=O)OC(C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1.
What is the InChIKey of [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate?
The InChIKey is KDSBYMCPIOLEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O6S2/c1-9(17(25)23-18-15(16(21)24)11-4-3-5-14(11)30-18)29-19(26)12-8-10(6-7-13(12)20)31(27,28)22-2/h6-9,22H,3-5H2,1-2H3,(H2,21,24)(H,23,25).
What are the key properties of [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate?
[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate has a molecular weight of 485.97 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 7 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] 2-chloro-5-(methylsulfamoyl)benzoate is sourced from PubChem (CID 43015086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).