ethyl 2-(naphthalen-2-ylsulfonylamino)-5-phenylthiophene-3-carboxylate

C23H19NO4S2 — CID 19203351

IUPACethyl 2-(naphthalen-2-ylsulfonylamino)-5-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H19NO4S2/c1-2-28-23(25)20-15-21(17-9-4-3-5-10-17)29-22(20)24-30(26,27)19-13-12-16-8-6-7-11-18(16)14-19/h3-15,24H,2H2,1H3
InChIKeyXJRKDTZVHNNLCC-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.55
Rot. Bonds6

About ethyl 2-(naphthalen-2-ylsulfonylamino)-5-phenylthiophene-3-carboxylate

ethyl 2-(naphthalen-2-ylsulfonylamino)-5-phenylthiophene-3-carboxylate (PubChem CID 19203351) has the molecular formula C23H19NO4S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is ethyl 2-(naphthalen-2-ylsulfonylamino)-5-phenylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(naphthalen-2-ylsulfonylamino)-5-phenylthiophene-3-carboxylate
PubChem CID19203351
Molecular FormulaC23H19NO4S2
Molecular Weight437.54 g/mol
Exact Mass437.08
IUPAC Nameethyl 2-(naphthalen-2-ylsulfonylamino)-5-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H19NO4S2/c1-2-28-23(25)20-15-21(17-9-4-3-5-10-17)29-22(20)24-30(26,27)19-13-12-16-8-6-7-11-18(16)14-19/h3-15,24H,2H2,1H3
InChIKeyXJRKDTZVHNNLCC-UHFFFAOYSA-N
XLogP5.55
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-5-phenylthiophene-3-carboxylate
CID 146601260
ethyl 2-(naphthalen-2-ylsulfonylamino)-4-phenylthiophene-3-carboxylate
CID 19203355
ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxylate
CID 28692926
ethyl 2-(butanoylamino)-5-phenylthiophene-3-carboxylate
CID 949199
ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate
CID 841453
ethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate
CID 733295
ethyl 2-[[(2S)-2-chloropropanoyl]amino]-5-phenylthiophene-3-carboxylate
CID 2386073
ethyl 2-[(3,5-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate
CID 1189333
ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate
CID 11795959
[2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl] 6-(methanesulfonamido)pyridine-2-carboxylate
CID 171651861
ethyl 2-[[(2S)-2-methylpentanoyl]amino]-5-phenylthiophene-3-carboxylate
CID 92759942
ethyl 4-(2,4-dimethylphenyl)-2-(naphthalen-2-ylsulfonylamino)thiophene-3-carboxylate
CID 19228872

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(naphthalen-2-ylsulfonylamino)-5-phenylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(naphthalen-2-ylsulfonylamino)-5-phenylthiophene-3-carboxylate (CID 19203351) is ethyl 2-(naphthalen-2-ylsulfonylamino)-5-phenylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(naphthalen-2-ylsulfonylamino)-5-phenylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(naphthalen-2-ylsulfonylamino)-5-phenylthiophene-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)sc1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 2-(naphthalen-2-ylsulfonylamino)-5-phenylthiophene-3-carboxylate?
The InChIKey is XJRKDTZVHNNLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4S2/c1-2-28-23(25)20-15-21(17-9-4-3-5-10-17)29-22(20)24-30(26,27)19-13-12-16-8-6-7-11-18(16)14-19/h3-15,24H,2H2,1H3.
What are the key properties of ethyl 2-(naphthalen-2-ylsulfonylamino)-5-phenylthiophene-3-carboxylate?
ethyl 2-(naphthalen-2-ylsulfonylamino)-5-phenylthiophene-3-carboxylate has a molecular weight of 437.54 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(naphthalen-2-ylsulfonylamino)-5-phenylthiophene-3-carboxylate is sourced from PubChem (CID 19203351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).