N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide

C19H13Cl2N3O3S — CID 3495265

IUPACN-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccco1
InChIInChI=1S/C19H13Cl2N3O3S/c20-11-6-7-14(15(21)9-11)17(25)24-19(28)23-13-4-1-3-12(10-13)22-18(26)16-5-2-8-27-16/h1-10H,(H,22,26)(H2,23,24,25,28)
InChIKeyZFQXIRPOGLTWFO-UHFFFAOYSA-N
MW434.30 g/mol
LogP4.97
Rot. Bonds4

About N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide

N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide (PubChem CID 3495265) has the molecular formula C19H13Cl2N3O3S and a molecular weight of 434.30 g/mol. Its IUPAC name is N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide
PubChem CID3495265
Molecular FormulaC19H13Cl2N3O3S
Molecular Weight434.30 g/mol
Exact Mass433.01
IUPAC NameN-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccco1
InChIInChI=1S/C19H13Cl2N3O3S/c20-11-6-7-14(15(21)9-11)17(25)24-19(28)23-13-4-1-3-12(10-13)22-18(26)16-5-2-8-27-16/h1-10H,(H,22,26)(H2,23,24,25,28)
InChIKeyZFQXIRPOGLTWFO-UHFFFAOYSA-N
XLogP4.97
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.30
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[(2,4-dichlorobenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127453
N-[3-[2-(2,4-dichlorophenoxy)propanoylcarbamothioylamino]phenyl]furan-2-carboxamide
CID 4274390
2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
CID 4939146
N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide
CID 26167264
N-[[3-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-2,6-dimethoxybenzamide
CID 23100463
N-[3-[(4-bromobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 1341400
5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1395615
N-[3-[[2-(2-methoxyethoxy)benzoyl]carbamothioylamino]phenyl]furan-2-carboxamide
CID 26169334
2,4-dichloro-N-[3-(furan-2-yl)phenyl]benzamide
CID 168526277
2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17169954
5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide
CID 3447887
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide (CID 3495265) is N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide is O=C(Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccco1.
What is the InChIKey of N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide?
The InChIKey is ZFQXIRPOGLTWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O3S/c20-11-6-7-14(15(21)9-11)17(25)24-19(28)23-13-4-1-3-12(10-13)22-18(26)16-5-2-8-27-16/h1-10H,(H,22,26)(H2,23,24,25,28).
What are the key properties of N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide?
N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide has a molecular weight of 434.30 g/mol, XLogP of 4.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 3495265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).