(4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide

C52H48N10O6S3 — CID 22834991

IUPAC(4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide
SMILESCc1ccc(NC(=O)/N=C2\C(SSSC3/C(=N\C(=O)Nc4ccc(C)cc4)N(c4ccc(C)cc4)C(=O)N3C(=O)Nc3ccc(C)cc3)N(C(=O)Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C52H48N10O6S3/c1-31-7-19-37(20-8-31)53-47(63)57-43-45(61(49(65)55-39-23-11-33(3)12-24-39)51(67)59(43)41-27-15-35(5)16-28-41)69-71-70-46-44(58-48(64)54-38-21-9-32(2)10-22-38)60(42-29-17-36(6)18-30-42)52(68)62(46)50(66)56-40-25-13-34(4)14-26-40/h7-30,45-46H,1-6H3,(H,53,63)(H,54,64)(H,55,65)(H,56,66)/b57-43+,58-44+
InChIKeyCQZGJMAWILANFF-LFEJFKCFSA-N
MW1005.22 g/mol
LogP13.13
Rot. Bonds10

About (4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide

(4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide (PubChem CID 22834991) has the molecular formula C52H48N10O6S3 and a molecular weight of 1005.22 g/mol. Its IUPAC name is (4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Name(4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide
PubChem CID22834991
Molecular FormulaC52H48N10O6S3
Molecular Weight1005.22 g/mol
Exact Mass1004.29
IUPAC Name(4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide
SMILESCc1ccc(NC(=O)/N=C2\C(SSSC3/C(=N\C(=O)Nc4ccc(C)cc4)N(c4ccc(C)cc4)C(=O)N3C(=O)Nc3ccc(C)cc3)N(C(=O)Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C52H48N10O6S3/c1-31-7-19-37(20-8-31)53-47(63)57-43-45(61(49(65)55-39-23-11-33(3)12-24-39)51(67)59(43)41-27-15-35(5)16-28-41)69-71-70-46-44(58-48(64)54-38-21-9-32(2)10-22-38)60(42-29-17-36(6)18-30-42)52(68)62(46)50(66)56-40-25-13-34(4)14-26-40/h7-30,45-46H,1-6H3,(H,53,63)(H,54,64)(H,55,65)(H,56,66)/b57-43+,58-44+
InChIKeyCQZGJMAWILANFF-LFEJFKCFSA-N
XLogP13.13
TPSA188.22 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.22
LogP ≤ 513.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide with MolForge

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Related Compounds

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(1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea
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1-[(4S,5S)-1,3-dimethyl-5-[(4-methylphenyl)carbamoylamino]-2-oxoimidazolidin-4-yl]-3-(4-methylphenyl)urea
CID 7446709
1-(4-fluorophenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42853639

Frequently Asked Questions

What is the IUPAC name of (4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of (4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide (CID 22834991) is (4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for (4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for (4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide is Cc1ccc(NC(=O)/N=C2\C(SSSC3/C(=N\C(=O)Nc4ccc(C)cc4)N(c4ccc(C)cc4)C(=O)N3C(=O)Nc3ccc(C)cc3)N(C(=O)Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1.
What is the InChIKey of (4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide?
The InChIKey is CQZGJMAWILANFF-LFEJFKCFSA-N. The full InChI is InChI=1S/C52H48N10O6S3/c1-31-7-19-37(20-8-31)53-47(63)57-43-45(61(49(65)55-39-23-11-33(3)12-24-39)51(67)59(43)41-27-15-35(5)16-28-41)69-71-70-46-44(58-48(64)54-38-21-9-32(2)10-22-38)60(42-29-17-36(6)18-30-42)52(68)62(46)50(66)56-40-25-13-34(4)14-26-40/h7-30,45-46H,1-6H3,(H,53,63)(H,54,64)(H,55,65)(H,56,66)/b57-43+,58-44+.
What are the key properties of (4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide?
(4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide has a molecular weight of 1005.22 g/mol, XLogP of 13.13, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 22834991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).