N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide

C20H22N2O3S — CID 108554674

IUPACN-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
SMILESCOc1cccc(C(=O)N2CCC(NC(=O)c3ccccc3S)CC2)c1
InChIInChI=1S/C20H22N2O3S/c1-25-16-6-4-5-14(13-16)20(24)22-11-9-15(10-12-22)21-19(23)17-7-2-3-8-18(17)26/h2-8,13,15,26H,9-12H2,1H3,(H,21,23)
InChIKeyKWJMVZVRIBRDBS-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.02
Rot. Bonds4

About N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide

N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide (PubChem CID 108554674) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
PubChem CID108554674
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
SMILESCOc1cccc(C(=O)N2CCC(NC(=O)c3ccccc3S)CC2)c1
InChIInChI=1S/C20H22N2O3S/c1-25-16-6-4-5-14(13-16)20(24)22-11-9-15(10-12-22)21-19(23)17-7-2-3-8-18(17)26/h2-8,13,15,26H,9-12H2,1H3,(H,21,23)
InChIKeyKWJMVZVRIBRDBS-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108549181
N-[1-(3-methoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554007
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554761
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554659
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108549795
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554010
methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820541
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108550355

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide?
The IUPAC name of N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide (CID 108554674) is N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide?
The canonical SMILES for N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide is COc1cccc(C(=O)N2CCC(NC(=O)c3ccccc3S)CC2)c1.
What is the InChIKey of N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide?
The InChIKey is KWJMVZVRIBRDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-25-16-6-4-5-14(13-16)20(24)22-11-9-15(10-12-22)21-19(23)17-7-2-3-8-18(17)26/h2-8,13,15,26H,9-12H2,1H3,(H,21,23).
What are the key properties of N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide?
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide has a molecular weight of 370.47 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide is sourced from PubChem (CID 108554674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).