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

C49H56N4O8S4 — CID 11803989

IUPAC4-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
SMILESC=CCN(C1C=CC(N(C2C=CC(N(C3C=CC(N(CC=C)S(=O)(=O)c4ccc(C)cc4)C3)S(=O)(=O)c3ccc(C)cc3)C2)S(=O)(=O)c2ccc(C)cc2)C1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C49H56N4O8S4/c1-7-31-50(62(54,55)46-23-9-36(3)10-24-46)40-17-19-42(33-40)52(64(58,59)48-27-13-38(5)14-28-48)44-21-22-45(35-44)53(65(60,61)49-29-15-39(6)16-30-49)43-20-18-41(34-43)51(32-8-2)63(56,57)47-25-11-37(4)12-26-47/h7-30,40-45H,1-2,31-35H2,3-6H3
InChIKeyJHDJBCOOUZTGBG-UHFFFAOYSA-N
MW957.27 g/mol
LogP7.45
Rot. Bonds18

About 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

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 (PubChem CID 11803989) has the molecular formula C49H56N4O8S4 and a molecular weight of 957.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID11803989
Molecular FormulaC49H56N4O8S4
Molecular Weight957.27 g/mol
Exact Mass956.30
IUPAC Name4-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
SMILESC=CCN(C1C=CC(N(C2C=CC(N(C3C=CC(N(CC=C)S(=O)(=O)c4ccc(C)cc4)C3)S(=O)(=O)c3ccc(C)cc3)C2)S(=O)(=O)c2ccc(C)cc2)C1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C49H56N4O8S4/c1-7-31-50(62(54,55)46-23-9-36(3)10-24-46)40-17-19-42(33-40)52(64(58,59)48-27-13-38(5)14-28-48)44-21-22-45(35-44)53(65(60,61)49-29-15-39(6)16-30-49)43-20-18-41(34-43)51(32-8-2)63(56,57)47-25-11-37(4)12-26-47/h7-30,40-45H,1-2,31-35H2,3-6H3
InChIKeyJHDJBCOOUZTGBG-UHFFFAOYSA-N
XLogP7.45
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.27
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 15529725
4-methyl-N-[(1R,6S)-6-[2-methylidenebut-3-enyl-(4-methylphenyl)sulfonylamino]cyclohex-3-en-1-yl]-N-prop-2-enylbenzenesulfonamide
CID 102159177
methyl [(1R,4S)-4-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl] carbonate
CID 101084405
N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide
CID 11077613
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetyl chloride
CID 102026013
N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide
CID 3782584
4-methyl-N-[(E)-pent-2-en-4-ynyl]-N-prop-2-enylbenzenesulfonamide
CID 102262070
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
N-[(1E,3E)-1,4-diiodo-4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]buta-1,3-dienyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 102357733
N-(2,2-dimethyl-3-oxopropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 10494105
4-methyl-N-(3-oxobutyl)-N-prop-2-enylbenzenesulfonamide
CID 102089023

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCN(C1C=CC(N(C2C=CC(N(C3C=CC(N(CC=C)S(=O)(=O)c4ccc(C)cc4)C3)S(=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-[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?
The InChIKey is JHDJBCOOUZTGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H56N4O8S4/c1-7-31-50(62(54,55)46-23-9-36(3)10-24-46)40-17-19-42(33-40)52(64(58,59)48-27-13-38(5)14-28-48)44-21-22-45(35-44)53(65(60,61)49-29-15-39(6)16-30-49)43-20-18-41(34-43)51(32-8-2)63(56,57)47-25-11-37(4)12-26-47/h7-30,40-45H,1-2,31-35H2,3-6H3.
What are the key properties of 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?
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 has a molecular weight of 957.27 g/mol, XLogP of 7.45, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11803989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).