N-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide

C17H22N4O5S — CID 59794376

IUPACN-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide
SMILESC[C@]1(CS(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H22N4O5S/c1-17(15(23)19-16(24)20-17)11-27(25,26)21-9-7-13(8-10-21)18-14(22)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,22)(H2,19,20,23,24)/t17-/m1/s1
InChIKeyQFZGCABKVDHNDY-QGZVFWFLSA-N
MW394.45 g/mol
LogP-0.19
Rot. Bonds5

About N-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide

N-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide (PubChem CID 59794376) has the molecular formula C17H22N4O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide
PubChem CID59794376
Molecular FormulaC17H22N4O5S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC NameN-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide
SMILESC[C@]1(CS(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H22N4O5S/c1-17(15(23)19-16(24)20-17)11-27(25,26)21-9-7-13(8-10-21)18-14(22)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,22)(H2,19,20,23,24)/t17-/m1/s1
InChIKeyQFZGCABKVDHNDY-QGZVFWFLSA-N
XLogP-0.19
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid
CID 69288109
N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)benzamide
CID 46514703
(5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 59794423
N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
CID 110823002
N-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide
CID 70049103
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
4-[1-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperidin-4-yl]oxybenzonitrile
CID 69288611
(5S)-5-methyl-5-[[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 59794410
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 32681074
N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 51294911
N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide
CID 136576495
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide (CID 59794376) is N-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide is C[C@]1(CS(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)NC(=O)NC1=O.
What is the InChIKey of N-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide?
The InChIKey is QFZGCABKVDHNDY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N4O5S/c1-17(15(23)19-16(24)20-17)11-27(25,26)21-9-7-13(8-10-21)18-14(22)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,22)(H2,19,20,23,24)/t17-/m1/s1.
What are the key properties of N-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide?
N-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide has a molecular weight of 394.45 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 59794376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).