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

C24H17Cl2N3O4S — CID 17335701

IUPAC5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C24H17Cl2N3O4S/c1-13-7-8-14(27-22(30)19-6-3-11-32-19)12-17(13)28-24(34)29-23(31)20-10-9-18(33-20)15-4-2-5-16(25)21(15)26/h2-12H,1H3,(H,27,30)(H2,28,29,31,34)
InChIKeyHMZXLEZMDIWWAG-UHFFFAOYSA-N
MW514.39 g/mol
LogP6.53
Rot. Bonds5

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

5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide (PubChem CID 17335701) has the molecular formula C24H17Cl2N3O4S and a molecular weight of 514.39 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide
PubChem CID17335701
Molecular FormulaC24H17Cl2N3O4S
Molecular Weight514.39 g/mol
Exact Mass513.03
IUPAC Name5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C24H17Cl2N3O4S/c1-13-7-8-14(27-22(30)19-6-3-11-32-19)12-17(13)28-24(34)29-23(31)20-10-9-18(33-20)15-4-2-5-16(25)21(15)26/h2-12H,1H3,(H,27,30)(H2,28,29,31,34)
InChIKeyHMZXLEZMDIWWAG-UHFFFAOYSA-N
XLogP6.53
TPSA96.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.39
LogP ≤ 56.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-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

Related Compounds

5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1395615
N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide
CID 17313609
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide
CID 3447887
5-(2,3-dichlorophenyl)-N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]furan-2-carboxamide
CID 4010622
N-[3-[(2-chloro-5-iodobenzoyl)carbamothioylamino]-4-methylphenyl]furan-2-carboxamide
CID 17313305
N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 17098783
5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide
CID 2065633
N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1395394
5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 23095039
N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide
CID 952249
5-(2,3-dichlorophenyl)-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1396155

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide (CID 17335701) is 5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide is Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide?
The InChIKey is HMZXLEZMDIWWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O4S/c1-13-7-8-14(27-22(30)19-6-3-11-32-19)12-17(13)28-24(34)29-23(31)20-10-9-18(33-20)15-4-2-5-16(25)21(15)26/h2-12H,1H3,(H,27,30)(H2,28,29,31,34).
What are the key properties of 5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide?
5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide has a molecular weight of 514.39 g/mol, XLogP of 6.53, 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-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 17335701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).