5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide

C37H25N5O5S2 — CID 155040559

IUPAC5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccc(OOc3ccc(NC(=O)c4ccc(-c5ccc6cc[nH]c6c5)s4)cc3)cc2)s1
InChIInChI=1S/C37H25N5O5S2/c43-35(33-16-14-32(49-33)23-2-1-21-17-18-38-29(21)19-23)39-24-5-10-27(11-6-24)47-46-26-8-3-22(4-9-26)31-13-15-34(48-31)36(44)40-25-7-12-28-30(20-25)42-37(45)41-28/h1-20,38H,(H,39,43)(H,40,44)(H2,41,42,45)
InChIKeyCODYSORRBNSJLC-UHFFFAOYSA-N
MW683.77 g/mol
LogP8.67
Rot. Bonds9

About 5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide

5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide (PubChem CID 155040559) has the molecular formula C37H25N5O5S2 and a molecular weight of 683.77 g/mol. Its IUPAC name is 5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
PubChem CID155040559
Molecular FormulaC37H25N5O5S2
Molecular Weight683.77 g/mol
Exact Mass683.13
IUPAC Name5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccc(OOc3ccc(NC(=O)c4ccc(-c5ccc6cc[nH]c6c5)s4)cc3)cc2)s1
InChIInChI=1S/C37H25N5O5S2/c43-35(33-16-14-32(49-33)23-2-1-21-17-18-38-29(21)19-23)39-24-5-10-27(11-6-24)47-46-26-8-3-22(4-9-26)31-13-15-34(48-31)36(44)40-25-7-12-28-30(20-25)42-37(45)41-28/h1-20,38H,(H,39,43)(H,40,44)(H2,41,42,45)
InChIKeyCODYSORRBNSJLC-UHFFFAOYSA-N
XLogP8.67
TPSA141.10 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.77
LogP ≤ 58.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide (CID 155040559) is 5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccc(OOc3ccc(NC(=O)c4ccc(-c5ccc6cc[nH]c6c5)s4)cc3)cc2)s1.
What is the InChIKey of 5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide?
The InChIKey is CODYSORRBNSJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N5O5S2/c43-35(33-16-14-32(49-33)23-2-1-21-17-18-38-29(21)19-23)39-24-5-10-27(11-6-24)47-46-26-8-3-22(4-9-26)31-13-15-34(48-31)36(44)40-25-7-12-28-30(20-25)42-37(45)41-28/h1-20,38H,(H,39,43)(H,40,44)(H2,41,42,45).
What are the key properties of 5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide?
5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide has a molecular weight of 683.77 g/mol, XLogP of 8.67, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 155040559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).