[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate

C19H23N3O7S3 — CID 4830718

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1
InChIInChI=1S/C19H23N3O7S3/c20-31(25,26)16-6-4-5-14(11-16)21-17(23)13-29-18(24)12-15-7-8-19(30-15)32(27,28)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10,12-13H2,(H,21,23)(H2,20,25,26)
InChIKeySNYFCHLGMKNQOI-UHFFFAOYSA-N
MW501.61 g/mol
LogP1.29
Rot. Bonds8

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate (PubChem CID 4830718) has the molecular formula C19H23N3O7S3 and a molecular weight of 501.61 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
PubChem CID4830718
Molecular FormulaC19H23N3O7S3
Molecular Weight501.61 g/mol
Exact Mass501.07
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1
InChIInChI=1S/C19H23N3O7S3/c20-31(25,26)16-6-4-5-14(11-16)21-17(23)13-29-18(24)12-15-7-8-19(30-15)32(27,28)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10,12-13H2,(H,21,23)(H2,20,25,26)
InChIKeySNYFCHLGMKNQOI-UHFFFAOYSA-N
XLogP1.29
TPSA152.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.61
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2-Chloroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4003394
N-(2-morpholin-4-ylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2084205
[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2366902
N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2510848
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3658108
[2-[3-(Dimethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4091312
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4208851
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 4275413
[2-(4-Nitroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4294128
[2-(4-Chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4968483
[2-[3-(Diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 5100905
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 16261541

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate (CID 4830718) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
The InChIKey is SNYFCHLGMKNQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O7S3/c20-31(25,26)16-6-4-5-14(11-16)21-17(23)13-29-18(24)12-15-7-8-19(30-15)32(27,28)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10,12-13H2,(H,21,23)(H2,20,25,26).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate has a molecular weight of 501.61 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate is sourced from PubChem (CID 4830718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).