N-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide

C21H25ClN4O4S2 — CID 53028314

IUPACN-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)CC1
InChIInChI=1S/C21H25ClN4O4S2/c22-17-4-5-18(23-13-17)24-20(27)15-6-10-26(11-7-15)32(29,30)19-12-16(14-31-19)21(28)25-8-2-1-3-9-25/h4-5,12-15H,1-3,6-11H2,(H,23,24,27)
InChIKeyAJHYSIYWSQNTBI-UHFFFAOYSA-N
MW497.04 g/mol
LogP3.46
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 53028314) has the molecular formula C21H25ClN4O4S2 and a molecular weight of 497.04 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
PubChem CID53028314
Molecular FormulaC21H25ClN4O4S2
Molecular Weight497.04 g/mol
Exact Mass496.10
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)CC1
InChIInChI=1S/C21H25ClN4O4S2/c22-17-4-5-18(23-13-17)24-20(27)15-6-10-26(11-7-15)32(29,30)19-12-16(14-31-19)21(28)25-8-2-1-3-9-25/h4-5,12-15H,1-3,6-11H2,(H,23,24,27)
InChIKeyAJHYSIYWSQNTBI-UHFFFAOYSA-N
XLogP3.46
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.04
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 53074795
N-(3-chloro-4-fluorophenyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028354
N-(3-chloro-2-methylphenyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028338
N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 39753818
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55812737
N-(4-methoxyphenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53006794
N-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53074737
[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone
CID 50777756
1-[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53074839
[5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone
CID 50777781
N-[(4-methylphenyl)methyl]-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028335
N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide
CID 55993702

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide (CID 53028314) is N-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is AJHYSIYWSQNTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O4S2/c22-17-4-5-18(23-13-17)24-20(27)15-6-10-26(11-7-15)32(29,30)19-12-16(14-31-19)21(28)25-8-2-1-3-9-25/h4-5,12-15H,1-3,6-11H2,(H,23,24,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 497.04 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53028314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).