N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide

C23H29N3O5S2 — CID 95352761

IUPACN-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O5S2/c1-25(19-8-4-2-5-9-19)33(30,31)20-12-10-18(11-13-20)23(27)24-21-16-32(28,29)17-22(21)26-14-6-3-7-15-26/h2,4-5,8-13,21-22H,3,6-7,14-17H2,1H3,(H,24,27)/t21-,22+/m1/s1
InChIKeyQRJVSLDCLPBSPD-YADHBBJMSA-N
MW491.64 g/mol
LogP1.89
Rot. Bonds6

About N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide

N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 95352761) has the molecular formula C23H29N3O5S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID95352761
Molecular FormulaC23H29N3O5S2
Molecular Weight491.64 g/mol
Exact Mass491.15
IUPAC NameN-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O5S2/c1-25(19-8-4-2-5-9-19)33(30,31)20-12-10-18(11-13-20)23(27)24-21-16-32(28,29)17-22(21)26-14-6-3-7-15-26/h2,4-5,8-13,21-22H,3,6-7,14-17H2,1H3,(H,24,27)/t21-,22+/m1/s1
InChIKeyQRJVSLDCLPBSPD-YADHBBJMSA-N
XLogP1.89
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[methyl(phenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849780
4-[methyl(phenyl)sulfamoyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 46564955
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide
CID 95285548
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119457671
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 46476979
3-cyano-N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]benzamide
CID 95290887
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide
CID 95327047
ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 31542226
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 23229827
N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119628528
N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide
CID 95298515

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 95352761) is N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)cc1.
What is the InChIKey of N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is QRJVSLDCLPBSPD-YADHBBJMSA-N. The full InChI is InChI=1S/C23H29N3O5S2/c1-25(19-8-4-2-5-9-19)33(30,31)20-12-10-18(11-13-20)23(27)24-21-16-32(28,29)17-22(21)26-14-6-3-7-15-26/h2,4-5,8-13,21-22H,3,6-7,14-17H2,1H3,(H,24,27)/t21-,22+/m1/s1.
What are the key properties of N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 491.64 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 95352761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).