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

C20H23N3O4S2 — CID 108554693

IUPACN-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3S)CC2)cc1
InChIInChI=1S/C20H23N3O4S2/c1-29(26,27)22-16-8-6-14(7-9-16)20(25)23-12-10-15(11-13-23)21-19(24)17-4-2-3-5-18(17)28/h2-9,15,22,28H,10-13H2,1H3,(H,21,24)
InChIKeyZWQWVUDPMWPRNE-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.38
Rot. Bonds5

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

N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide (PubChem CID 108554693) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide
PubChem CID108554693
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC NameN-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3S)CC2)cc1
InChIInChI=1S/C20H23N3O4S2/c1-29(26,27)22-16-8-6-14(7-9-16)20(25)23-12-10-15(11-13-23)21-19(24)17-4-2-3-5-18(17)28/h2-9,15,22,28H,10-13H2,1H3,(H,21,24)
InChIKeyZWQWVUDPMWPRNE-UHFFFAOYSA-N
XLogP2.38
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-sulfanylbenzamide
CID 108554659
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564764
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554724
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557729
4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
CID 108551873
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554761
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554674
3,4-dimethyl-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108557610
4-bromo-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108550521
4-[[4-(methanesulfonamido)benzoyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560518
N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide
CID 46678397
N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide
CID 108550283

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide?
The IUPAC name of N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide (CID 108554693) is N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide?
The canonical SMILES for N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide is CS(=O)(=O)Nc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3S)CC2)cc1.
What is the InChIKey of N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide?
The InChIKey is ZWQWVUDPMWPRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-29(26,27)22-16-8-6-14(7-9-16)20(25)23-12-10-15(11-13-23)21-19(24)17-4-2-3-5-18(17)28/h2-9,15,22,28H,10-13H2,1H3,(H,21,24).
What are the key properties of N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide?
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide has a molecular weight of 433.56 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide is sourced from PubChem (CID 108554693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).