2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide

C21H24N2O4S — CID 108549795

IUPAC2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCN(C(=O)c2ccccc2S)CC1
InChIInChI=1S/C21H24N2O4S/c1-26-16-7-5-8-17(27-2)19(16)20(24)22-14-10-12-23(13-11-14)21(25)15-6-3-4-9-18(15)28/h3-9,14,28H,10-13H2,1-2H3,(H,22,24)
InChIKeyWTWQVKWWPXZKDB-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.03
Rot. Bonds5

About 2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide

2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide (PubChem CID 108549795) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
PubChem CID108549795
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCN(C(=O)c2ccccc2S)CC1
InChIInChI=1S/C21H24N2O4S/c1-26-16-7-5-8-17(27-2)19(16)20(24)22-14-10-12-23(13-11-14)21(25)15-6-3-4-9-18(15)28/h3-9,14,28H,10-13H2,1-2H3,(H,22,24)
InChIKeyWTWQVKWWPXZKDB-UHFFFAOYSA-N
XLogP3.03
TPSA67.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate
CID 108565841
2-(3,4-dimethoxyphenyl)-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]acetamide
CID 108558753
2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558620
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554674
3,4-dimethyl-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108557610
2-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549236
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108561636
2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 110751950
2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108563596
2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819616

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide (CID 108549795) is 2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide is COc1cccc(OC)c1C(=O)NC1CCN(C(=O)c2ccccc2S)CC1.
What is the InChIKey of 2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide?
The InChIKey is WTWQVKWWPXZKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-26-16-7-5-8-17(27-2)19(16)20(24)22-14-10-12-23(13-11-14)21(25)15-6-3-4-9-18(15)28/h3-9,14,28H,10-13H2,1-2H3,(H,22,24).
What are the key properties of 2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide?
2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide has a molecular weight of 400.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108549795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).