ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate

C20H22N2O4S — CID 17224095

IUPACethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H22N2O4S/c1-2-26-20(25)15-6-3-4-7-16(15)21-18(23)14-9-11-22(12-10-14)19(24)17-8-5-13-27-17/h3-8,13-14H,2,9-12H2,1H3,(H,21,23)
InChIKeyNTZOSWXOKRSUDQ-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.42
Rot. Bonds5

About ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate

ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate (PubChem CID 17224095) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
PubChem CID17224095
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Nameethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H22N2O4S/c1-2-26-20(25)15-6-3-4-7-16(15)21-18(23)14-9-11-22(12-10-14)19(24)17-8-5-13-27-17/h3-8,13-14H,2,9-12H2,1H3,(H,21,23)
InChIKeyNTZOSWXOKRSUDQ-UHFFFAOYSA-N
XLogP3.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 46563548
N-[2-(tert-butylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224213
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040
tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110428314
ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008681
ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate
CID 113008679
ethyl 5-methyl-1-[3-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-4-carboxylate
CID 38606848
N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46820339
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate
CID 113080733
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27260860
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate (CID 17224095) is ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate?
The InChIKey is NTZOSWXOKRSUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-2-26-20(25)15-6-3-4-7-16(15)21-18(23)14-9-11-22(12-10-14)19(24)17-8-5-13-27-17/h3-8,13-14H,2,9-12H2,1H3,(H,21,23).
What are the key properties of ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate?
ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate has a molecular weight of 386.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 17224095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).