4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide

C17H24N4O5S — CID 119966018

IUPAC4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C2CCNCC2)cc1C1(C)NC(=O)NC1=O
InChIInChI=1S/C17H24N4O5S/c1-17(15(22)19-16(23)20-17)13-10-12(4-5-14(13)26-3)27(24,25)21(2)11-6-8-18-9-7-11/h4-5,10-11,18H,6-9H2,1-3H3,(H2,19,20,22,23)
InChIKeyYZFIQELUKQTFNC-UHFFFAOYSA-N
MW396.47 g/mol
LogP0.12
Rot. Bonds5

About 4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide

4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 119966018) has the molecular formula C17H24N4O5S and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
PubChem CID119966018
Molecular FormulaC17H24N4O5S
Molecular Weight396.47 g/mol
Exact Mass396.15
IUPAC Name4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C2CCNCC2)cc1C1(C)NC(=O)NC1=O
InChIInChI=1S/C17H24N4O5S/c1-17(15(22)19-16(23)20-17)13-10-12(4-5-14(13)26-3)27(24,25)21(2)11-6-8-18-9-7-11/h4-5,10-11,18H,6-9H2,1-3H3,(H2,19,20,22,23)
InChIKeyYZFIQELUKQTFNC-UHFFFAOYSA-N
XLogP0.12
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
CID 119960766
(5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione
CID 99799656
4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974457
4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968701
3-bromo-4-methoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297854
5-[5-[(3S,4S)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione
CID 129001398
6-methoxy-N-methyl-N-piperidin-4-ylpyridine-3-sulfonamide
CID 120999712
5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 82129747
3-bromo-4-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 119965919
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910
N-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride
CID 120664813
3-methoxy-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978738

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide (CID 119966018) is 4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)C2CCNCC2)cc1C1(C)NC(=O)NC1=O.
What is the InChIKey of 4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is YZFIQELUKQTFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5S/c1-17(15(22)19-16(23)20-17)13-10-12(4-5-14(13)26-3)27(24,25)21(2)11-6-8-18-9-7-11/h4-5,10-11,18H,6-9H2,1-3H3,(H2,19,20,22,23).
What are the key properties of 4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide?
4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 119966018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).