N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C19H22N2O5S2 — CID 2348570

IUPACN-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C19H22N2O5S2/c1-25-16-12-14(28(23,24)21-7-9-26-10-8-21)5-6-15(16)20-19(22)18-11-13-3-2-4-17(13)27-18/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,22)
InChIKeyIVPMWMDKYBJEME-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.52
Rot. Bonds5

About N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 2348570) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID2348570
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC NameN-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C19H22N2O5S2/c1-25-16-12-14(28(23,24)21-7-9-26-10-8-21)5-6-15(16)20-19(22)18-11-13-3-2-4-17(13)27-18/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,22)
InChIKeyIVPMWMDKYBJEME-UHFFFAOYSA-N
XLogP2.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide with MolForge

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 15945391
(5,6-Dihydro-4H-cyclopenta[b]thiophen-2-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
CID 2566372
4-fluoro-N-[2-methoxy-4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1078655
N-(2-Methoxy-phenyl)-3-(morpholine-4-sulfonyl)-benzamide
CID 1081943
N-[2-methoxy-4-(1-piperidinylsulfonyl)phenyl]-2-phenylacetamide
CID 1311120
N-(2-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2329070
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 2349366
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2364061
N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2373396
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 3708012
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
CID 4377135
[2-(2-Methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 4411955

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 2348570) is N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)c1cc2c(s1)CCC2.
What is the InChIKey of N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is IVPMWMDKYBJEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c1-25-16-12-14(28(23,24)21-7-9-26-10-8-21)5-6-15(16)20-19(22)18-11-13-3-2-4-17(13)27-18/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,22).
What are the key properties of N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 2348570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).