ethyl 3-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-5-phenylthiophene-2-carboxylate

C22H23N3O6S2 — CID 24577801

IUPACethyl 3-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-5-phenylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C22H23N3O6S2/c1-4-31-22(28)21-17(12-18(32-21)15-8-6-5-7-9-15)23-19(26)14-25-13-16(10-11-20(25)27)33(29,30)24(2)3/h5-13H,4,14H2,1-3H3,(H,23,26)
InChIKeyVPDPNFOQVIPKKA-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.64
Rot. Bonds8

About ethyl 3-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-5-phenylthiophene-2-carboxylate

ethyl 3-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-5-phenylthiophene-2-carboxylate (PubChem CID 24577801) has the molecular formula C22H23N3O6S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is ethyl 3-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-5-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-5-phenylthiophene-2-carboxylate
PubChem CID24577801
Molecular FormulaC22H23N3O6S2
Molecular Weight489.58 g/mol
Exact Mass489.10
IUPAC Nameethyl 3-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-5-phenylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C22H23N3O6S2/c1-4-31-22(28)21-17(12-18(32-21)15-8-6-5-7-9-15)23-19(26)14-25-13-16(10-11-20(25)27)33(29,30)24(2)3/h5-13H,4,14H2,1-3H3,(H,23,26)
InChIKeyVPDPNFOQVIPKKA-UHFFFAOYSA-N
XLogP2.64
TPSA114.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate
CID 2654063
ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate
CID 16837962
ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]-5-phenylthiophene-2-carboxylate
CID 8609411
ethyl 3-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 16530589
N-(4-chloro-2-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7828841
[2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 30394191
ethyl 3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 2120556
2-O-[2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504581
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-sulfamoylphenyl)acetamide
CID 38932613
ethyl 3-[[2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 135703502
[2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 3911504
ethyl 3-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 41154223

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-5-phenylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-5-phenylthiophene-2-carboxylate (CID 24577801) is ethyl 3-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-5-phenylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-5-phenylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-5-phenylthiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O.
What is the InChIKey of ethyl 3-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-5-phenylthiophene-2-carboxylate?
The InChIKey is VPDPNFOQVIPKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S2/c1-4-31-22(28)21-17(12-18(32-21)15-8-6-5-7-9-15)23-19(26)14-25-13-16(10-11-20(25)27)33(29,30)24(2)3/h5-13H,4,14H2,1-3H3,(H,23,26).
What are the key properties of ethyl 3-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-5-phenylthiophene-2-carboxylate?
ethyl 3-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-5-phenylthiophene-2-carboxylate has a molecular weight of 489.58 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-5-phenylthiophene-2-carboxylate is sourced from PubChem (CID 24577801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).