N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide

C20H26N4O3S — CID 9195727

IUPACN-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C20H26N4O3S/c1-15-7-6-8-16(2)20(15)23-19(25)14-22-18-10-9-17(13-21-18)28(26,27)24-11-4-3-5-12-24/h6-10,13H,3-5,11-12,14H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyGDQUBDUCCALUID-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.92
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide

N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide (PubChem CID 9195727) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
PubChem CID9195727
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C20H26N4O3S/c1-15-7-6-8-16(2)20(15)23-19(25)14-22-18-10-9-17(13-21-18)28(26,27)24-11-4-3-5-12-24/h6-10,13H,3-5,11-12,14H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyGDQUBDUCCALUID-UHFFFAOYSA-N
XLogP2.92
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9024930
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
N-(2-ethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9195835
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
N-(2,6-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 16567459
N-(2,6-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30117219
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 4803720
2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide
CID 78782231
N-(2-ethyl-6-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7900185
2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080738
2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 78821635
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide (CID 9195727) is N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide is Cc1cccc(C)c1NC(=O)CNc1ccc(S(=O)(=O)N2CCCCC2)cn1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide?
The InChIKey is GDQUBDUCCALUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-15-7-6-8-16(2)20(15)23-19(25)14-22-18-10-9-17(13-21-18)28(26,27)24-11-4-3-5-12-24/h6-10,13H,3-5,11-12,14H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide?
N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide has a molecular weight of 402.52 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 9195727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).