4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]benzenesulfonamide

C34H39N3O6S3 — CID 10604586

IUPAC4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]benzenesulfonamide
SMILESC=CCN(C1C=CC(N(C2C=CC(NS(=O)(=O)c3ccc(C)cc3)C2)S(=O)(=O)c2ccc(C)cc2)C1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C34H39N3O6S3/c1-5-22-36(45(40,41)33-18-8-26(3)9-19-33)29-14-15-31(24-29)37(46(42,43)34-20-10-27(4)11-21-34)30-13-12-28(23-30)35-44(38,39)32-16-6-25(2)7-17-32/h5-21,28-31,35H,1,22-24H2,2-4H3
InChIKeyVPZCUUIFOUAYRR-UHFFFAOYSA-N
MW681.90 g/mol
LogP4.85
Rot. Bonds12

About 4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]benzenesulfonamide

4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]benzenesulfonamide (PubChem CID 10604586) has the molecular formula C34H39N3O6S3 and a molecular weight of 681.90 g/mol. Its IUPAC name is 4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]benzenesulfonamide
PubChem CID10604586
Molecular FormulaC34H39N3O6S3
Molecular Weight681.90 g/mol
Exact Mass681.20
IUPAC Name4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]benzenesulfonamide
SMILESC=CCN(C1C=CC(N(C2C=CC(NS(=O)(=O)c3ccc(C)cc3)C2)S(=O)(=O)c2ccc(C)cc2)C1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C34H39N3O6S3/c1-5-22-36(45(40,41)33-18-8-26(3)9-19-33)29-14-15-31(24-29)37(46(42,43)34-20-10-27(4)11-21-34)30-13-12-28(23-30)35-44(38,39)32-16-6-25(2)7-17-32/h5-21,28-31,35H,1,22-24H2,2-4H3
InChIKeyVPZCUUIFOUAYRR-UHFFFAOYSA-N
XLogP4.85
TPSA120.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500681.90
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]-N-prop-2-enylbenzenesulfonamide
CID 11803989
N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 15529725
N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide
CID 101206913
methyl [(1R,4S)-4-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl] carbonate
CID 101084405
4-methyl-N-[(1R,6S)-6-[2-methylidenebut-3-enyl-(4-methylphenyl)sulfonylamino]cyclohex-3-en-1-yl]-N-prop-2-enylbenzenesulfonamide
CID 102159177
N-[(1S,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(prop-2-enylamino)cyclohept-2-en-1-yl]-4-nitro-N-prop-2-enylbenzenesulfonamide
CID 11027739
N-cyclopent-2-en-1-yl-4-methylbenzenesulfonamide
CID 11183983
N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide
CID 11077613
3-(4-methylphenyl)sulfonyl-1,1-bis(prop-2-enyl)urea
CID 4628428
4-methyl-N-[(1S,2R,3S,4R)-3-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]-2-bicyclo[2.2.1]hept-5-enyl]-N-prop-2-ynylbenzenesulfonamide
CID 101451188
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetyl chloride
CID 102026013
N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide
CID 3782584

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]benzenesulfonamide (CID 10604586) is 4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]benzenesulfonamide is C=CCN(C1C=CC(N(C2C=CC(NS(=O)(=O)c3ccc(C)cc3)C2)S(=O)(=O)c2ccc(C)cc2)C1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]benzenesulfonamide?
The InChIKey is VPZCUUIFOUAYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3O6S3/c1-5-22-36(45(40,41)33-18-8-26(3)9-19-33)29-14-15-31(24-29)37(46(42,43)34-20-10-27(4)11-21-34)30-13-12-28(23-30)35-44(38,39)32-16-6-25(2)7-17-32/h5-21,28-31,35H,1,22-24H2,2-4H3.
What are the key properties of 4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]benzenesulfonamide?
4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]benzenesulfonamide has a molecular weight of 681.90 g/mol, XLogP of 4.85, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]benzenesulfonamide is sourced from PubChem (CID 10604586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).