1-(3-methoxyphenyl)sulfonyl-4-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-phenylimidazolidin-2-one

C27H29N5O5S — CID 25027712

IUPAC1-(3-methoxyphenyl)sulfonyl-4-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-phenylimidazolidin-2-one
SMILESCOc1cccc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ncccc4C)CC3)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C27H29N5O5S/c1-20-8-7-13-28-25(20)29-14-16-30(17-15-29)26(33)24-19-31(27(34)32(24)21-9-4-3-5-10-21)38(35,36)23-12-6-11-22(18-23)37-2/h3-13,18,24H,14-17,19H2,1-2H3
InChIKeyKDFGUSZSXBBVLV-UHFFFAOYSA-N
MW535.63 g/mol
LogP2.75
Rot. Bonds6

About 1-(3-methoxyphenyl)sulfonyl-4-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-phenylimidazolidin-2-one

1-(3-methoxyphenyl)sulfonyl-4-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-phenylimidazolidin-2-one (PubChem CID 25027712) has the molecular formula C27H29N5O5S and a molecular weight of 535.63 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfonyl-4-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfonyl-4-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-phenylimidazolidin-2-one
PubChem CID25027712
Molecular FormulaC27H29N5O5S
Molecular Weight535.63 g/mol
Exact Mass535.19
IUPAC Name1-(3-methoxyphenyl)sulfonyl-4-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-phenylimidazolidin-2-one
SMILESCOc1cccc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ncccc4C)CC3)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C27H29N5O5S/c1-20-8-7-13-28-25(20)29-14-16-30(17-15-29)26(33)24-19-31(27(34)32(24)21-9-4-3-5-10-21)38(35,36)23-12-6-11-22(18-23)37-2/h3-13,18,24H,14-17,19H2,1-2H3
InChIKeyKDFGUSZSXBBVLV-UHFFFAOYSA-N
XLogP2.75
TPSA103.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.63
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-phenyl-1-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-2-one
CID 25030244
(4S)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-phenyl-1-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-2-one
CID 67140734
2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone
CID 72888763
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3S,4R)-1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]methanone
CID 59666153
1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one
CID 25028147
(7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95114121
1-(4-methoxyphenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110374158
(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2215364
cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818032
(1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 70781321
4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 90506720
(5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 92751803

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-phenylimidazolidin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-phenylimidazolidin-2-one (CID 25027712) is 1-(3-methoxyphenyl)sulfonyl-4-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-phenylimidazolidin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfonyl-4-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-phenylimidazolidin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)sulfonyl-4-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-phenylimidazolidin-2-one is COc1cccc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ncccc4C)CC3)N(c3ccccc3)C2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)sulfonyl-4-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-phenylimidazolidin-2-one?
The InChIKey is KDFGUSZSXBBVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O5S/c1-20-8-7-13-28-25(20)29-14-16-30(17-15-29)26(33)24-19-31(27(34)32(24)21-9-4-3-5-10-21)38(35,36)23-12-6-11-22(18-23)37-2/h3-13,18,24H,14-17,19H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)sulfonyl-4-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-phenylimidazolidin-2-one?
1-(3-methoxyphenyl)sulfonyl-4-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-phenylimidazolidin-2-one has a molecular weight of 535.63 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)sulfonyl-4-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-phenylimidazolidin-2-one is sourced from PubChem (CID 25027712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).