2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide

C24H28N2O4S2 — CID 45479079

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1SC1CCS(=O)(=O)C1
InChIInChI=1S/C24H28N2O4S2/c27-23(21-6-2-3-7-22(21)31-20-12-15-32(29,30)17-20)25-16-18-8-10-19(11-9-18)24(28)26-13-4-1-5-14-26/h2-3,6-11,20H,1,4-5,12-17H2,(H,25,27)
InChIKeyNKOUJNYVQNLQKL-UHFFFAOYSA-N
MW472.63 g/mol
LogP3.52
Rot. Bonds6

About 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide (PubChem CID 45479079) has the molecular formula C24H28N2O4S2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
PubChem CID45479079
Molecular FormulaC24H28N2O4S2
Molecular Weight472.63 g/mol
Exact Mass472.15
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1SC1CCS(=O)(=O)C1
InChIInChI=1S/C24H28N2O4S2/c27-23(21-6-2-3-7-22(21)31-20-12-15-32(29,30)17-20)25-16-18-8-10-19(11-9-18)24(28)26-13-4-1-5-14-26/h2-3,6-11,20H,1,4-5,12-17H2,(H,25,27)
InChIKeyNKOUJNYVQNLQKL-UHFFFAOYSA-N
XLogP3.52
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide with MolForge

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Related Compounds

2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-prop-2-ynylbenzamide
CID 39967836
2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 46655948
N-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide
CID 40939084
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylsulfanylethyl)benzamide
CID 45351416
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide
CID 41094674
2-[(1,1-dioxothiolan-3-yl)-prop-2-ynylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 56574767
(4-benzylsulfonylpiperazin-1-yl)-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylphenyl]methanone
CID 41079004
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 47029137
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylphenyl]methanone
CID 124834697
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[3-(N-ethylanilino)propyl]benzamide
CID 24654932
2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 136536492
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide (CID 45479079) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide is O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1SC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide?
The InChIKey is NKOUJNYVQNLQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S2/c27-23(21-6-2-3-7-22(21)31-20-12-15-32(29,30)17-20)25-16-18-8-10-19(11-9-18)24(28)26-13-4-1-5-14-26/h2-3,6-11,20H,1,4-5,12-17H2,(H,25,27).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide has a molecular weight of 472.63 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide is sourced from PubChem (CID 45479079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).