N-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide

C21H22N4O3S2 — CID 78899574

IUPACN-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)cn1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H22N4O3S2/c26-21(23-19-10-9-18(15-22-19)25-11-2-1-3-12-25)16-6-4-7-17(14-16)24-30(27,28)20-8-5-13-29-20/h4-10,13-15,24H,1-3,11-12H2,(H,22,23,26)
InChIKeyHDGNNEVQBXLVKZ-UHFFFAOYSA-N
MW442.57 g/mol
LogP4.19
Rot. Bonds6

About N-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide

N-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 78899574) has the molecular formula C21H22N4O3S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is N-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID78899574
Molecular FormulaC21H22N4O3S2
Molecular Weight442.57 g/mol
Exact Mass442.11
IUPAC NameN-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)cn1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H22N4O3S2/c26-21(23-19-10-9-18(15-22-19)25-11-2-1-3-12-25)16-6-4-7-17(14-16)24-30(27,28)20-8-5-13-29-20/h4-10,13-15,24H,1-3,11-12H2,(H,22,23,26)
InChIKeyHDGNNEVQBXLVKZ-UHFFFAOYSA-N
XLogP4.19
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55991234
N-(5-pyrrolidin-1-yl-2-pyridinyl)thiophene-3-carboxamide
CID 32949158
N-(6-imidazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55829891
N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 78901118
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786528
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46487765
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55793963
ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
CID 113029334
6-pyrrolidin-1-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-3-carboxamide
CID 154735988
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide
CID 166203369
3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 30860962
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 60505090

Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide (CID 78899574) is N-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide is O=C(Nc1ccc(N2CCCCC2)cn1)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is HDGNNEVQBXLVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S2/c26-21(23-19-10-9-18(15-22-19)25-11-2-1-3-12-25)16-6-4-7-17(14-16)24-30(27,28)20-8-5-13-29-20/h4-10,13-15,24H,1-3,11-12H2,(H,22,23,26).
What are the key properties of N-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
N-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 442.57 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 78899574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).