1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one

C18H26N4O4S — CID 8787917

IUPAC1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CCNC3=O)CC2)c(C)c1
InChIInChI=1S/C18H26N4O4S/c1-13-4-5-16(14(2)12-13)27(25,26)21-10-8-20(9-11-21)15(3)17(23)22-7-6-19-18(22)24/h4-5,12,15H,6-11H2,1-3H3,(H,19,24)/t15-/m1/s1
InChIKeyJAZHBLMEMLVWSA-OAHLLOKOSA-N
MW394.50 g/mol
LogP0.55
Rot. Bonds4

About 1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one

1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one (PubChem CID 8787917) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
PubChem CID8787917
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CCNC3=O)CC2)c(C)c1
InChIInChI=1S/C18H26N4O4S/c1-13-4-5-16(14(2)12-13)27(25,26)21-10-8-20(9-11-21)15(3)17(23)22-7-6-19-18(22)24/h4-5,12,15H,6-11H2,1-3H3,(H,19,24)/t15-/m1/s1
InChIKeyJAZHBLMEMLVWSA-OAHLLOKOSA-N
XLogP0.55
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one with MolForge

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Related Compounds

(2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 8730657
1-[(2R)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanoyl]imidazolidin-2-one
CID 8692349
1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 45351245
1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 45352776
1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 45352676
N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680027
1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 110708837
(2S)-N-(4-acetylphenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2368604
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24680007
4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 27534466
N-(4-chloro-2-fluorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680009
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one (CID 8787917) is 1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one is Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CCNC3=O)CC2)c(C)c1.
What is the InChIKey of 1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one?
The InChIKey is JAZHBLMEMLVWSA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-13-4-5-16(14(2)12-13)27(25,26)21-10-8-20(9-11-21)15(3)17(23)22-7-6-19-18(22)24/h4-5,12,15H,6-11H2,1-3H3,(H,19,24)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one?
1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one has a molecular weight of 394.50 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8787917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).