4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide

C25H34N4O4S2 — CID 92849277

IUPAC4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(CN2CCCCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C)cc1
InChIInChI=1S/C25H34N4O4S2/c1-20-7-11-23(12-8-20)34(30,31)26-25(19-27-15-5-4-6-16-27)28-17-18-29(22(28)3)35(32,33)24-13-9-21(2)10-14-24/h7-14,22H,4-6,15-19H2,1-3H3/t22-/m1/s1
InChIKeyBXAGKSMZRTUNAY-JOCHJYFZSA-N
MW518.71 g/mol
LogP3.23
Rot. Bonds6

About 4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide

4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide (PubChem CID 92849277) has the molecular formula C25H34N4O4S2 and a molecular weight of 518.71 g/mol. Its IUPAC name is 4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide
PubChem CID92849277
Molecular FormulaC25H34N4O4S2
Molecular Weight518.71 g/mol
Exact Mass518.20
IUPAC Name4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(CN2CCCCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C)cc1
InChIInChI=1S/C25H34N4O4S2/c1-20-7-11-23(12-8-20)34(30,31)26-25(19-27-15-5-4-6-16-27)28-17-18-29(22(28)3)35(32,33)24-13-9-21(2)10-14-24/h7-14,22H,4-6,15-19H2,1-3H3/t22-/m1/s1
InChIKeyBXAGKSMZRTUNAY-JOCHJYFZSA-N
XLogP3.23
TPSA90.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.71
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide
CID 98138042
4-methyl-N-[1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-pyrrolidin-1-ylethylidene]benzenesulfonamide
CID 98138047
(NZ)-N-[1-[3-(benzenesulfonyl)-2-propan-2-ylimidazolidin-1-yl]-2-pyrrolidin-1-ylethylidene]-4-methylbenzenesulfonamide
CID 6043418
(NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide
CID 5394786
N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide
CID 4656786
(NZ)-N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide
CID 6177409
1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone
CID 3368590
4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethylidene]benzenesulfonamide
CID 4679193
N-[2-(benzylamino)-1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]-4-methylbenzenesulfonamide
CID 71831054
4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide
CID 2914583
N-[2-chloro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-(3-nitrophenyl)imidazolidin-1-yl]ethylidene]-4-methylbenzenesulfonamide
CID 98240906
1-[(2R,5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone
CID 124805816

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide (CID 92849277) is 4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)N=C(CN2CCCCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C)cc1.
What is the InChIKey of 4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide?
The InChIKey is BXAGKSMZRTUNAY-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H34N4O4S2/c1-20-7-11-23(12-8-20)34(30,31)26-25(19-27-15-5-4-6-16-27)28-17-18-29(22(28)3)35(32,33)24-13-9-21(2)10-14-24/h7-14,22H,4-6,15-19H2,1-3H3/t22-/m1/s1.
What are the key properties of 4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide?
4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide has a molecular weight of 518.71 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide is sourced from PubChem (CID 92849277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).