5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

C51H69N9O8S2 — CID 25181686

IUPAC5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)N(C(C)C)C(C)C)cc32)c(C)c1C(=O)NCCCN(C)CCCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)N(C(C)C)C(C)C)cc32)c1C
InChIInChI=1S/C51H69N9O8S2/c1-28(2)59(29(3)4)69(65,66)36-16-18-42-38(24-36)40(48(61)56-42)26-44-32(9)46(34(11)54-44)50(63)52-20-14-22-58(13)23-15-21-53-51(64)47-33(10)45(55-35(47)12)27-41-39-25-37(17-19-43(39)57-49(41)62)70(67,68)60(30(5)6)31(7)8/h16-19,24-31,54-55H,14-15,20-23H2,1-13H3,(H,52,63)(H,53,64)(H,56,61)(H,57,62)/b40-26-,41-27-
InChIKeyAIAIWESWSNVHOV-HOKVGLHCSA-N
MW1000.30 g/mol
LogP7.05
Rot. Bonds20

About 5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 25181686) has the molecular formula C51H69N9O8S2 and a molecular weight of 1000.30 g/mol. Its IUPAC name is 5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID25181686
Molecular FormulaC51H69N9O8S2
Molecular Weight1000.30 g/mol
Exact Mass999.47
IUPAC Name5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)N(C(C)C)C(C)C)cc32)c(C)c1C(=O)NCCCN(C)CCCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)N(C(C)C)C(C)C)cc32)c1C
InChIInChI=1S/C51H69N9O8S2/c1-28(2)59(29(3)4)69(65,66)36-16-18-42-38(24-36)40(48(61)56-42)26-44-32(9)46(34(11)54-44)50(63)52-20-14-22-58(13)23-15-21-53-51(64)47-33(10)45(55-35(47)12)27-41-39-25-37(17-19-43(39)57-49(41)62)70(67,68)60(30(5)6)31(7)8/h16-19,24-31,54-55H,14-15,20-23H2,1-13H3,(H,52,63)(H,53,64)(H,56,61)(H,57,62)/b40-26-,41-27-
InChIKeyAIAIWESWSNVHOV-HOKVGLHCSA-N
XLogP7.05
TPSA225.98 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001000.30
LogP ≤ 57.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

N-[3-[3-[[2,4-dimethyl-5-[(Z)-(5-morpholin-4-ylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-5-[(Z)-(5-morpholin-4-ylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
CID 25181821
N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 59069608
N-[3-[butyl(methyl)amino]propyl]-5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 142214952
N-[2-[di(propan-2-yl)amino]ethyl]-5-[(Z)-[5-[(2-fluorophenyl)methylsulfonyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 59077687
N-[2-[ethyl(methyl)amino]ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 91295175
N-[(4S)-5-(dimethylamino)-4-methoxypentyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 143431805
N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[(2-fluorophenyl)methylsulfonyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 10166208
N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(ethylsulfonylamino)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 155545183
N-[(3S)-4-(dimethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 11992468
5-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 67282170
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(3-hydroxybutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 143059254
N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;ethane
CID 143583029

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 25181686) is 5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)N(C(C)C)C(C)C)cc32)c(C)c1C(=O)NCCCN(C)CCCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)N(C(C)C)C(C)C)cc32)c1C.
What is the InChIKey of 5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is AIAIWESWSNVHOV-HOKVGLHCSA-N. The full InChI is InChI=1S/C51H69N9O8S2/c1-28(2)59(29(3)4)69(65,66)36-16-18-42-38(24-36)40(48(61)56-42)26-44-32(9)46(34(11)54-44)50(63)52-20-14-22-58(13)23-15-21-53-51(64)47-33(10)45(55-35(47)12)27-41-39-25-37(17-19-43(39)57-49(41)62)70(67,68)60(30(5)6)31(7)8/h16-19,24-31,54-55H,14-15,20-23H2,1-13H3,(H,52,63)(H,53,64)(H,56,61)(H,57,62)/b40-26-,41-27-.
What are the key properties of 5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 1000.30 g/mol, XLogP of 7.05, 20 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 25181686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).