5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide

C24H17Cl2N3O5S — CID 3447887

IUPAC5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C24H17Cl2N3O5S/c1-32-19-7-5-14(27-22(30)20-3-2-10-33-20)12-17(19)28-24(35)29-23(31)21-9-8-18(34-21)15-6-4-13(25)11-16(15)26/h2-12H,1H3,(H,27,30)(H2,28,29,31,35)
InChIKeyDLLMJVSOTMQDER-UHFFFAOYSA-N
MW530.39 g/mol
LogP6.23
Rot. Bonds6

About 5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide

5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide (PubChem CID 3447887) has the molecular formula C24H17Cl2N3O5S and a molecular weight of 530.39 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide
PubChem CID3447887
Molecular FormulaC24H17Cl2N3O5S
Molecular Weight530.39 g/mol
Exact Mass529.03
IUPAC Name5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C24H17Cl2N3O5S/c1-32-19-7-5-14(27-22(30)20-3-2-10-33-20)12-17(19)28-24(35)29-23(31)21-9-8-18(34-21)15-6-4-13(25)11-16(15)26/h2-12H,1H3,(H,27,30)(H2,28,29,31,35)
InChIKeyDLLMJVSOTMQDER-UHFFFAOYSA-N
XLogP6.23
TPSA105.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.39
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-[(3-chloro-4-methoxybenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 3676209
5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide
CID 17335701
5-(2,4-dichlorophenyl)-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 17115574
N-[3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 4261831
N-[3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 3913489
5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1395615
N-[3-[(4-bromobenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 5091898
N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 17317199
5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 22777171
N-[4-methoxy-3-[(2-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 2231983
N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 3495265
N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3511927

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide (CID 3447887) is 5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide is COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide?
The InChIKey is DLLMJVSOTMQDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O5S/c1-32-19-7-5-14(27-22(30)20-3-2-10-33-20)12-17(19)28-24(35)29-23(31)21-9-8-18(34-21)15-6-4-13(25)11-16(15)26/h2-12H,1H3,(H,27,30)(H2,28,29,31,35).
What are the key properties of 5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide?
5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide has a molecular weight of 530.39 g/mol, XLogP of 6.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 3447887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).