N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide

C28H32N4O5S2 — CID 4656786

IUPACN-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(CN2CCOCC2)N2CCN(S(=O)(=O)c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C28H32N4O5S2/c1-23-12-14-25(15-13-23)38(33,34)29-27(22-30-18-20-37-21-19-30)31-16-17-32(28(31)24-8-4-2-5-9-24)39(35,36)26-10-6-3-7-11-26/h2-15,28H,16-22H2,1H3
InChIKeyGWQGVWBAXNVPMF-UHFFFAOYSA-N
MW568.72 g/mol
LogP3.12
Rot. Bonds7

About N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide

N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide (PubChem CID 4656786) has the molecular formula C28H32N4O5S2 and a molecular weight of 568.72 g/mol. Its IUPAC name is N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide
PubChem CID4656786
Molecular FormulaC28H32N4O5S2
Molecular Weight568.72 g/mol
Exact Mass568.18
IUPAC NameN-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(CN2CCOCC2)N2CCN(S(=O)(=O)c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C28H32N4O5S2/c1-23-12-14-25(15-13-23)38(33,34)29-27(22-30-18-20-37-21-19-30)31-16-17-32(28(31)24-8-4-2-5-9-24)39(35,36)26-10-6-3-7-11-26/h2-15,28H,16-22H2,1H3
InChIKeyGWQGVWBAXNVPMF-UHFFFAOYSA-N
XLogP3.12
TPSA99.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.72
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(NZ)-N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide
CID 6177409
4-methyl-N-[1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-pyrrolidin-1-ylethylidene]benzenesulfonamide
CID 98138047
4-methyl-N-[1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide
CID 98138042
4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethylidene]benzenesulfonamide
CID 4679193
(NZ)-N-[1-[3-(benzenesulfonyl)-2-propan-2-ylimidazolidin-1-yl]-2-pyrrolidin-1-ylethylidene]-4-methylbenzenesulfonamide
CID 6043418
4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide
CID 92849277
1-[(2S)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone
CID 1015201
(NE)-N-[1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethylidene]-4-methylbenzenesulfonamide
CID 46500087
(NE)-N-[1-[3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]ethylidene]-4-methylbenzenesulfonamide
CID 46500083
1-[(2R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone
CID 28565527
N-[2-(benzylamino)-1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]-4-methylbenzenesulfonamide
CID 71831054
N-[2-chloro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-(3-nitrophenyl)imidazolidin-1-yl]ethylidene]-4-methylbenzenesulfonamide
CID 98240906

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide (CID 4656786) is N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=C(CN2CCOCC2)N2CCN(S(=O)(=O)c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide?
The InChIKey is GWQGVWBAXNVPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5S2/c1-23-12-14-25(15-13-23)38(33,34)29-27(22-30-18-20-37-21-19-30)31-16-17-32(28(31)24-8-4-2-5-9-24)39(35,36)26-10-6-3-7-11-26/h2-15,28H,16-22H2,1H3.
What are the key properties of N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide?
N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide has a molecular weight of 568.72 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 4656786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).