N-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide

C21H26N4O5S2 — CID 53074752

IUPACN-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
SMILESCc1cccnc1NC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCOCC3)cs2)CC1
InChIInChI=1S/C21H26N4O5S2/c1-15-3-2-6-22-19(15)23-20(26)16-4-7-25(8-5-16)32(28,29)18-13-17(14-31-18)21(27)24-9-11-30-12-10-24/h2-3,6,13-14,16H,4-5,7-12H2,1H3,(H,22,23,26)
InChIKeyQIBMGPVLIYOTAH-UHFFFAOYSA-N
MW478.60 g/mol
LogP1.96
Rot. Bonds5

About N-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide

N-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 53074752) has the molecular formula C21H26N4O5S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
PubChem CID53074752
Molecular FormulaC21H26N4O5S2
Molecular Weight478.60 g/mol
Exact Mass478.13
IUPAC NameN-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
SMILESCc1cccnc1NC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCOCC3)cs2)CC1
InChIInChI=1S/C21H26N4O5S2/c1-15-3-2-6-22-19(15)23-20(26)16-4-7-25(8-5-16)32(28,29)18-13-17(14-31-18)21(27)24-9-11-30-12-10-24/h2-3,6,13-14,16H,4-5,7-12H2,1H3,(H,22,23,26)
InChIKeyQIBMGPVLIYOTAH-UHFFFAOYSA-N
XLogP1.96
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide 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

N-(6-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53074753
N-(1,3-benzodioxol-5-yl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53074777
N-[(3-methylphenyl)methyl]-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53074793
N-(3-chloro-2-methylphenyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028338
morpholin-4-yl-(5-piperidin-1-ylsulfonylthiophen-3-yl)methanone
CID 50777436
2,3-dihydroindol-1-yl-[1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone
CID 53074769
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-[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 53074865
N-(4-methoxyphenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53006794
1-[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53074839
N-(3-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 3411498

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide (CID 53074752) is N-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide is Cc1cccnc1NC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCOCC3)cs2)CC1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is QIBMGPVLIYOTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S2/c1-15-3-2-6-22-19(15)23-20(26)16-4-7-25(8-5-16)32(28,29)18-13-17(14-31-18)21(27)24-9-11-30-12-10-24/h2-3,6,13-14,16H,4-5,7-12H2,1H3,(H,22,23,26).
What are the key properties of N-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
N-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53074752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).