2-tert-butyl-3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazolidin-4-one

C23H38N2O3S — CID 622594

IUPAC2-tert-butyl-3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazolidin-4-one
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C)C2C(C)(C)C)c(C(C)C)c1
InChIInChI=1S/C23H38N2O3S/c1-14(2)17-11-18(15(3)4)21(19(12-17)16(5)6)29(27,28)25-13-20(26)24(10)22(25)23(7,8)9/h11-12,14-16,22H,13H2,1-10H3
InChIKeyHNXQEBNTBUTULB-UHFFFAOYSA-N
MW422.64 g/mol
LogP4.89
Rot. Bonds5

About 2-tert-butyl-3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazolidin-4-one

2-tert-butyl-3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazolidin-4-one (PubChem CID 622594) has the molecular formula C23H38N2O3S and a molecular weight of 422.64 g/mol. Its IUPAC name is 2-tert-butyl-3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazolidin-4-one.

Molecular Properties

Compound Name2-tert-butyl-3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazolidin-4-one
PubChem CID622594
Molecular FormulaC23H38N2O3S
Molecular Weight422.64 g/mol
Exact Mass422.26
IUPAC Name2-tert-butyl-3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazolidin-4-one
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C)C2C(C)(C)C)c(C(C)C)c1
InChIInChI=1S/C23H38N2O3S/c1-14(2)17-11-18(15(3)4)21(19(12-17)16(5)6)29(27,28)25-13-20(26)24(10)22(25)23(7,8)9/h11-12,14-16,22H,13H2,1-10H3
InChIKeyHNXQEBNTBUTULB-UHFFFAOYSA-N
XLogP4.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.64
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4787641
N-cyclohexyl-2,4,6-trimethyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide (non-preferred name)
CID 2202990
1-[5-Methyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-ethanone
CID 3157921
1-{2-Methyl-3-[(4-methylphenyl)sulfonyl]imidazolidin-1-yl}ethanone
CID 4125549
1-[(4-Methylphenyl)sulfonyl]-3-(1-pyrrolidinylacetyl)imidazolidine
CID 683045
1-Methyl-4-(2-{3-[(4-methylphenyl)sulfonyl]imidazolidin-1-yl}-2-oxoethyl)piperazine
CID 3236897
1-{3-[(4-Methylphenyl)sulfonyl]-2-(propan-2-yl)imidazolidin-1-yl}-2-(piperidin-1-yl)ethanone
CID 3338703
1-[2-Isopropyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-ethanone
CID 651253
N,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 899199
1-[3-(4-Methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone
CID 1035114
1-[3-(4-Methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 3367402
1-{2-Methyl-3-[(4-methylphenyl)sulfonyl]imidazolidin-1-yl}propan-1-one
CID 4125550

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazolidin-4-one?
The IUPAC name of 2-tert-butyl-3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazolidin-4-one (CID 622594) is 2-tert-butyl-3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazolidin-4-one.
What is the SMILES notation for 2-tert-butyl-3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazolidin-4-one?
The canonical SMILES for 2-tert-butyl-3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazolidin-4-one is CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C)C2C(C)(C)C)c(C(C)C)c1.
What is the InChIKey of 2-tert-butyl-3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazolidin-4-one?
The InChIKey is HNXQEBNTBUTULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O3S/c1-14(2)17-11-18(15(3)4)21(19(12-17)16(5)6)29(27,28)25-13-20(26)24(10)22(25)23(7,8)9/h11-12,14-16,22H,13H2,1-10H3.
What are the key properties of 2-tert-butyl-3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazolidin-4-one?
2-tert-butyl-3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazolidin-4-one has a molecular weight of 422.64 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazolidin-4-one is sourced from PubChem (CID 622594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).