N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-N,3,4-trimethylbenzenesulfonamide

C17H25N3O4S — CID 131960941

IUPACN-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-N,3,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCN2C(=O)NC(C)(C)C2=O)cc1C
InChIInChI=1S/C17H25N3O4S/c1-12-7-8-14(11-13(12)2)25(23,24)19(5)9-6-10-20-15(21)17(3,4)18-16(20)22/h7-8,11H,6,9-10H2,1-5H3,(H,18,22)
InChIKeyMONSTNBUYTYRAV-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.64
Rot. Bonds6

About N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-N,3,4-trimethylbenzenesulfonamide

N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-N,3,4-trimethylbenzenesulfonamide (PubChem CID 131960941) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-N,3,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-N,3,4-trimethylbenzenesulfonamide
PubChem CID131960941
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-N,3,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCN2C(=O)NC(C)(C)C2=O)cc1C
InChIInChI=1S/C17H25N3O4S/c1-12-7-8-14(11-13(12)2)25(23,24)19(5)9-6-10-20-15(21)17(3,4)18-16(20)22/h7-8,11H,6,9-10H2,1-5H3,(H,18,22)
InChIKeyMONSTNBUYTYRAV-UHFFFAOYSA-N
XLogP1.64
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione
CID 87013212
3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94184517
N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide
CID 47358994
N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22771503
4-bromo-N-butyl-N,3-dimethylbenzenesulfonamide
CID 54917653
4-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]butanoic acid
CID 39424256
2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide
CID 47280249
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703181
N-[2-(4-chlorophenoxy)ethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
CID 47008586
3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 110416909
3-[2-[benzhydryl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 35429502
3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
CID 107197609

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-N,3,4-trimethylbenzenesulfonamide?
The IUPAC name of N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-N,3,4-trimethylbenzenesulfonamide (CID 131960941) is N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-N,3,4-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-N,3,4-trimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-N,3,4-trimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CCCN2C(=O)NC(C)(C)C2=O)cc1C.
What is the InChIKey of N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-N,3,4-trimethylbenzenesulfonamide?
The InChIKey is MONSTNBUYTYRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-12-7-8-14(11-13(12)2)25(23,24)19(5)9-6-10-20-15(21)17(3,4)18-16(20)22/h7-8,11H,6,9-10H2,1-5H3,(H,18,22).
What are the key properties of N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-N,3,4-trimethylbenzenesulfonamide?
N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-N,3,4-trimethylbenzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-N,3,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 131960941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).