N-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide

C18H29N3O2S — CID 71358043

IUPACN-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCCCCCCCCCS)n1
InChIInChI=1S/C18H29N3O2S/c1-15(22)19-16-11-10-12-17(20-16)21-18(23)13-8-6-4-2-3-5-7-9-14-24/h10-12,24H,2-9,13-14H2,1H3,(H2,19,20,21,22,23)
InChIKeyCOXZZLWWHFXQJU-UHFFFAOYSA-N
MW351.52 g/mol
LogP4.42
Rot. Bonds12

About N-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide

N-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide (PubChem CID 71358043) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide.

Molecular Properties

Compound NameN-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide
PubChem CID71358043
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCCCCCCCCCS)n1
InChIInChI=1S/C18H29N3O2S/c1-15(22)19-16-11-10-12-17(20-16)21-18(23)13-8-6-4-2-3-5-7-9-14-24/h10-12,24H,2-9,13-14H2,1H3,(H2,19,20,21,22,23)
InChIKeyCOXZZLWWHFXQJU-UHFFFAOYSA-N
XLogP4.42
TPSA71.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
2-N-[6-(undecanoylamino)-2-pyridinyl]-6-N-[6-[[6-[[6-(undecanoylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]pyridine-2,6-dicarboxamide
CID 101146659
N-phenyl-10-sulfanyldecanamide
CID 89127946
N-phenyl-9-sulfanylnonanamide
CID 89127947
6-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl]-N-(6-acetamido-2-pyridinyl)hexanamide
CID 101263152
N-(6-fluoro-2-pyridinyl)octanamide
CID 104820556
N-(6-acetamido-2-pyridinyl)-3-pyridin-2-ylpropanamide
CID 101146103
N-[6-(propanoylamino)-2-pyridinyl]propanamide
CID 835275
N-(6-fluoro-2-pyridinyl)pentanamide
CID 104820722
N-[6-(hydroxymethyl)-2-pyridinyl]pentanamide
CID 82343736
4-bromo-N-(6-bromo-2-pyridinyl)butanamide
CID 134366786

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide?
The IUPAC name of N-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide (CID 71358043) is N-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide.
What is the SMILES notation for N-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide?
The canonical SMILES for N-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide is CC(=O)Nc1cccc(NC(=O)CCCCCCCCCCS)n1.
What is the InChIKey of N-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide?
The InChIKey is COXZZLWWHFXQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-15(22)19-16-11-10-12-17(20-16)21-18(23)13-8-6-4-2-3-5-7-9-14-24/h10-12,24H,2-9,13-14H2,1H3,(H2,19,20,21,22,23).
What are the key properties of N-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide?
N-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide has a molecular weight of 351.52 g/mol, XLogP of 4.42, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide is sourced from PubChem (CID 71358043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).