1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C22H29N5O4S2 — CID 55701006

IUPAC1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)C2)s1
InChIInChI=1S/C22H29N5O4S2/c1-15-6-9-20(32-15)33(30,31)27-11-3-5-17(14-27)22(29)25-18-7-8-19(24-12-18)26-10-2-4-16(13-26)21(23)28/h6-9,12,16-17H,2-5,10-11,13-14H2,1H3,(H2,23,28)(H,25,29)
InChIKeyJKOZURZMERWZLT-UHFFFAOYSA-N
MW491.64 g/mol
LogP2.19
Rot. Bonds6

About 1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55701006) has the molecular formula C22H29N5O4S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55701006
Molecular FormulaC22H29N5O4S2
Molecular Weight491.64 g/mol
Exact Mass491.17
IUPAC Name1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)C2)s1
InChIInChI=1S/C22H29N5O4S2/c1-15-6-9-20(32-15)33(30,31)27-11-3-5-17(14-27)22(29)25-18-7-8-19(24-12-18)26-10-2-4-16(13-26)21(23)28/h6-9,12,16-17H,2-5,10-11,13-14H2,1H3,(H2,23,28)(H,25,29)
InChIKeyJKOZURZMERWZLT-UHFFFAOYSA-N
XLogP2.19
TPSA125.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55526925
1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971103
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55526743
1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 24601879
1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 55603957
N-(4-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46523339
1-(5-methylthiophen-2-yl)sulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43073783
1-[5-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971217
1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 55580519
1-(5-methylthiophen-2-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 24641470
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55797970

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55701006) is 1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)C2)s1.
What is the InChIKey of 1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is JKOZURZMERWZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4S2/c1-15-6-9-20(32-15)33(30,31)27-11-3-5-17(14-27)22(29)25-18-7-8-19(24-12-18)26-10-2-4-16(13-26)21(23)28/h6-9,12,16-17H,2-5,10-11,13-14H2,1H3,(H2,23,28)(H,25,29).
What are the key properties of 1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55701006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).