ethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate

C16H20N2O4S2 — CID 120998917

IUPACethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate
SMILESCCOC(=O)c1cc2cc(S(=O)(=O)NC3CCNCC3)ccc2s1
InChIInChI=1S/C16H20N2O4S2/c1-2-22-16(19)15-10-11-9-13(3-4-14(11)23-15)24(20,21)18-12-5-7-17-8-6-12/h3-4,9-10,12,17-18H,2,5-8H2,1H3
InChIKeyZRPPPZMTALBXOJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.11
Rot. Bonds5

About ethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate

ethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate (PubChem CID 120998917) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is ethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate
PubChem CID120998917
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Nameethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate
SMILESCCOC(=O)c1cc2cc(S(=O)(=O)NC3CCNCC3)ccc2s1
InChIInChI=1S/C16H20N2O4S2/c1-2-22-16(19)15-10-11-9-13(3-4-14(11)23-15)24(20,21)18-12-5-7-17-8-6-12/h3-4,9-10,12,17-18H,2,5-8H2,1H3
InChIKeyZRPPPZMTALBXOJ-UHFFFAOYSA-N
XLogP2.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120874426
ethyl 5-(piperidin-4-ylsulfamoyl)furan-2-carboxylate
CID 119960606
methyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate
CID 69034720
ethyl 3-methyl-5-(pyrrolidin-3-ylsulfamoyl)-1-benzofuran-2-carboxylate
CID 120874645
ethyl 3-methyl-5-[[(3S)-pyrrolidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate
CID 124725014
ethyl 5-fluoro-1-benzothiophene-2-carboxylate
CID 23261724
ethyl 5-[(1-propylsulfonylpiperidin-4-yl)carbamoylamino]-1-benzothiophene-2-carboxylate
CID 55740830
ethyl 5-[[4-(pyridin-4-ylsulfamoyl)benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 55626870
N-[2-methyl-5-(piperidin-4-ylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119960595
ethyl 5-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 55627058
2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid
CID 61403148
ethyl 5-(3-aminopropanoylamino)-1-benzothiophene-2-carboxylate
CID 119281383

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate?
The IUPAC name of ethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate (CID 120998917) is ethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate is CCOC(=O)c1cc2cc(S(=O)(=O)NC3CCNCC3)ccc2s1.
What is the InChIKey of ethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate?
The InChIKey is ZRPPPZMTALBXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-2-22-16(19)15-10-11-9-13(3-4-14(11)23-15)24(20,21)18-12-5-7-17-8-6-12/h3-4,9-10,12,17-18H,2,5-8H2,1H3.
What are the key properties of ethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate?
ethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate has a molecular weight of 368.48 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 120998917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).