[2-(4-carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

C19H21N3O6S2 — CID 4587317

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C19H21N3O6S2/c20-18(24)13-3-5-15(6-4-13)21-16(23)12-28-19(25)14-7-9-22(10-8-14)30(26,27)17-2-1-11-29-17/h1-6,11,14H,7-10,12H2,(H2,20,24)(H,21,23)
InChIKeyLVPZHIPKLRCQPX-UHFFFAOYSA-N
MW451.53 g/mol
LogP1.43
Rot. Bonds7

About [2-(4-carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

[2-(4-carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (PubChem CID 4587317) has the molecular formula C19H21N3O6S2 and a molecular weight of 451.53 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
PubChem CID4587317
Molecular FormulaC19H21N3O6S2
Molecular Weight451.53 g/mol
Exact Mass451.09
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C19H21N3O6S2/c20-18(24)13-3-5-15(6-4-13)21-16(23)12-28-19(25)14-7-9-22(10-8-14)30(26,27)17-2-1-11-29-17/h1-6,11,14H,7-10,12H2,(H2,20,24)(H,21,23)
InChIKeyLVPZHIPKLRCQPX-UHFFFAOYSA-N
XLogP1.43
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 3962011
Ethyl 3-({[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}amino)benzoate
CID 3237508
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 16196455
N-[4-(4-morpholinylcarbonyl)phenyl]-2-thiophenecarboxamide
CID 653867
4-ethyl-5-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]-3-thiophenecarboxamide
CID 1246818
[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2366902
N-[4-(piperidin-1-ylcarbonyl)phenyl]thiophene-2-sulfonamide
CID 3239747
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3658108
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4256886
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4330205
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 18228160
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24816698

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (CID 4587317) is [2-(4-carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is NC(=O)c1ccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The InChIKey is LVPZHIPKLRCQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S2/c20-18(24)13-3-5-15(6-4-13)21-16(23)12-28-19(25)14-7-9-22(10-8-14)30(26,27)17-2-1-11-29-17/h1-6,11,14H,7-10,12H2,(H2,20,24)(H,21,23).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
[2-(4-carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate has a molecular weight of 451.53 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 4587317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).