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

C17H24N4O5S — CID 119968701

IUPAC4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCNC2)cc1C1(C)NC(=O)NC1=O
InChIInChI=1S/C17H24N4O5S/c1-17(15(22)20-16(23)21-17)13-8-12(5-6-14(13)26-2)27(24,25)19-10-11-4-3-7-18-9-11/h5-6,8,11,18-19H,3-4,7,9-10H2,1-2H3,(H2,20,21,22,23)
InChIKeyOIHLBUNGZQSKAC-UHFFFAOYSA-N
MW396.47 g/mol
LogP0.03
Rot. Bonds6

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

4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide (PubChem CID 119968701) has the molecular formula C17H24N4O5S and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide
PubChem CID119968701
Molecular FormulaC17H24N4O5S
Molecular Weight396.47 g/mol
Exact Mass396.15
IUPAC Name4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCNC2)cc1C1(C)NC(=O)NC1=O
InChIInChI=1S/C17H24N4O5S/c1-17(15(22)20-16(23)21-17)13-8-12(5-6-14(13)26-2)27(24,25)19-10-11-4-3-7-18-9-11/h5-6,8,11,18-19H,3-4,7,9-10H2,1-2H3,(H2,20,21,22,23)
InChIKeyOIHLBUNGZQSKAC-UHFFFAOYSA-N
XLogP0.03
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-4-ylbenzenesulfonamide
CID 119960766
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
N-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride
CID 120664813
4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride
CID 120824957
4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
CID 119966018
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721043
1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride
CID 119968792
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide (CID 119968701) is 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCCNC2)cc1C1(C)NC(=O)NC1=O.
What is the InChIKey of 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The InChIKey is OIHLBUNGZQSKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5S/c1-17(15(22)20-16(23)21-17)13-8-12(5-6-14(13)26-2)27(24,25)19-10-11-4-3-7-18-9-11/h5-6,8,11,18-19H,3-4,7,9-10H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide?
4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 119968701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).