N-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide

C19H27N3O5S — CID 7594741

IUPACN-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)C1=O
InChIInChI=1S/C19H27N3O5S/c1-5-11-19(12-6-2)17(24)22(18(25)20-19)13-16(23)14-7-9-15(10-8-14)21(3)28(4,26)27/h7-10H,5-6,11-13H2,1-4H3,(H,20,25)
InChIKeyJMPZRSBVNCULOT-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.16
Rot. Bonds9

About N-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide

N-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide (PubChem CID 7594741) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide
PubChem CID7594741
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC NameN-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)C1=O
InChIInChI=1S/C19H27N3O5S/c1-5-11-19(12-6-2)17(24)22(18(25)20-19)13-16(23)14-7-9-15(10-8-14)21(3)28(4,26)27/h7-10H,5-6,11-13H2,1-4H3,(H,20,25)
InChIKeyJMPZRSBVNCULOT-UHFFFAOYSA-N
XLogP2.16
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 29156188
3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 2579840
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617439
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 46665930
phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 8765116
3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 42984126
3-[2-(azepan-1-yl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 84601215
benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617485
N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 7241991
3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 2579755
4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
CID 53279666
ethyl 4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 51309764

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide (CID 7594741) is N-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide is CCCC1(CCC)NC(=O)N(CC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)C1=O.
What is the InChIKey of N-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide?
The InChIKey is JMPZRSBVNCULOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S/c1-5-11-19(12-6-2)17(24)22(18(25)20-19)13-16(23)14-7-9-15(10-8-14)21(3)28(4,26)27/h7-10H,5-6,11-13H2,1-4H3,(H,20,25).
What are the key properties of N-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide?
N-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 7594741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).