5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide

C23H15Cl2N3O4S — CID 1395615

IUPAC5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1)c1ccco1
InChIInChI=1S/C23H15Cl2N3O4S/c24-16-7-2-6-15(20(16)25)17-9-10-19(32-17)22(30)28-23(33)27-14-5-1-4-13(12-14)26-21(29)18-8-3-11-31-18/h1-12H,(H,26,29)(H2,27,28,30,33)
InChIKeyNKINGGZWWVYYDU-UHFFFAOYSA-N
MW500.36 g/mol
LogP6.23
Rot. Bonds5

About 5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide

5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide (PubChem CID 1395615) has the molecular formula C23H15Cl2N3O4S and a molecular weight of 500.36 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide
PubChem CID1395615
Molecular FormulaC23H15Cl2N3O4S
Molecular Weight500.36 g/mol
Exact Mass499.02
IUPAC Name5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1)c1ccco1
InChIInChI=1S/C23H15Cl2N3O4S/c24-16-7-2-6-15(20(16)25)17-9-10-19(32-17)22(30)28-23(33)27-14-5-1-4-13(12-14)26-21(29)18-8-3-11-31-18/h1-12H,(H,26,29)(H2,27,28,30,33)
InChIKeyNKINGGZWWVYYDU-UHFFFAOYSA-N
XLogP6.23
TPSA96.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.36
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide
CID 17335701
5-(2,3-dichlorophenyl)-N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]furan-2-carboxamide
CID 4010622
N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1395394
N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 3495265
N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 4042858
5-(2,3-dichlorophenyl)-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1396155
5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide
CID 2065633
5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide
CID 3447887
N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide
CID 952249
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
N-[[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 17317714
5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 23095039

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide (CID 1395615) is 5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide is O=C(Nc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1)c1ccco1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide?
The InChIKey is NKINGGZWWVYYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N3O4S/c24-16-7-2-6-15(20(16)25)17-9-10-19(32-17)22(30)28-23(33)27-14-5-1-4-13(12-14)26-21(29)18-8-3-11-31-18/h1-12H,(H,26,29)(H2,27,28,30,33).
What are the key properties of 5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide?
5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide has a molecular weight of 500.36 g/mol, XLogP of 6.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 1395615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).