N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide

C17H19ClN4O4S2 — CID 55993702

IUPACN-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)CNS(=O)(=O)c2cccs2)C1
InChIInChI=1S/C17H19ClN4O4S2/c18-13-5-6-14(19-9-13)21-17(24)12-3-1-7-22(11-12)15(23)10-20-28(25,26)16-4-2-8-27-16/h2,4-6,8-9,12,20H,1,3,7,10-11H2,(H,19,21,24)
InChIKeySIILEEXFPVTNMW-UHFFFAOYSA-N
MW442.95 g/mol
LogP1.95
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide (PubChem CID 55993702) has the molecular formula C17H19ClN4O4S2 and a molecular weight of 442.95 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide
PubChem CID55993702
Molecular FormulaC17H19ClN4O4S2
Molecular Weight442.95 g/mol
Exact Mass442.05
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)CNS(=O)(=O)c2cccs2)C1
InChIInChI=1S/C17H19ClN4O4S2/c18-13-5-6-14(19-9-13)21-17(24)12-3-1-7-22(11-12)15(23)10-20-28(25,26)16-4-2-8-27-16/h2,4-6,8-9,12,20H,1,3,7,10-11H2,(H,19,21,24)
InChIKeySIILEEXFPVTNMW-UHFFFAOYSA-N
XLogP1.95
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 119491037
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
N-(5-chloro-2-pyridinyl)-1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 55940452
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856461
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119856460
N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide
CID 55993829
N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide
CID 55815418
N-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028314
1-[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 53074795
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55812737
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 55818676

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide (CID 55993702) is N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)CNS(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide?
The InChIKey is SIILEEXFPVTNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O4S2/c18-13-5-6-14(19-9-13)21-17(24)12-3-1-7-22(11-12)15(23)10-20-28(25,26)16-4-2-8-27-16/h2,4-6,8-9,12,20H,1,3,7,10-11H2,(H,19,21,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide has a molecular weight of 442.95 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 55993702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).