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

C20H22N2O2S — CID 108554659

IUPACN-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3S)CC2)cc1
InChIInChI=1S/C20H22N2O2S/c1-14-6-8-15(9-7-14)20(24)22-12-10-16(11-13-22)21-19(23)17-4-2-3-5-18(17)25/h2-9,16,25H,10-13H2,1H3,(H,21,23)
InChIKeyKTEOUZMBEKNGPV-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.32
Rot. Bonds3

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

N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide (PubChem CID 108554659) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
PubChem CID108554659
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3S)CC2)cc1
InChIInChI=1S/C20H22N2O2S/c1-14-6-8-15(9-7-14)20(24)22-12-10-16(11-13-22)21-19(23)17-4-2-3-5-18(17)25/h2-9,16,25H,10-13H2,1H3,(H,21,23)
InChIKeyKTEOUZMBEKNGPV-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555134
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554724
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554693
3,4-dimethyl-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108557610
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554761
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554674
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
4-bromo-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108550521
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate
CID 108565841
2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108550779

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide?
The IUPAC name of N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide (CID 108554659) is N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide?
The canonical SMILES for N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide is Cc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3S)CC2)cc1.
What is the InChIKey of N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide?
The InChIKey is KTEOUZMBEKNGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-14-6-8-15(9-7-14)20(24)22-12-10-16(11-13-22)21-19(23)17-4-2-3-5-18(17)25/h2-9,16,25H,10-13H2,1H3,(H,21,23).
What are the key properties of N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide?
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide has a molecular weight of 354.48 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide is sourced from PubChem (CID 108554659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).