N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide

C26H20Cl3N3O3S — CID 17319329

IUPACN-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C26H20Cl3N3O3S/c27-16-3-5-18(19(28)14-16)22-7-8-23(35-22)25(33)30-17-4-6-21(20(29)15-17)31-9-11-32(12-10-31)26(34)24-2-1-13-36-24/h1-8,13-15H,9-12H2,(H,30,33)
InChIKeyORWBSBVMQRJIME-UHFFFAOYSA-N
MW560.89 g/mol
LogP7.18
Rot. Bonds5

About N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide

N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 17319329) has the molecular formula C26H20Cl3N3O3S and a molecular weight of 560.89 g/mol. Its IUPAC name is N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
PubChem CID17319329
Molecular FormulaC26H20Cl3N3O3S
Molecular Weight560.89 g/mol
Exact Mass559.03
IUPAC NameN-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C26H20Cl3N3O3S/c27-16-3-5-18(19(28)14-16)22-7-8-23(35-22)25(33)30-17-4-6-21(20(29)15-17)31-9-11-32(12-10-31)26(34)24-2-1-13-36-24/h1-8,13-15H,9-12H2,(H,30,33)
InChIKeyORWBSBVMQRJIME-UHFFFAOYSA-N
XLogP7.18
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.89
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)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

N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17272468
5-(3-chlorophenyl)-N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide
CID 17317898
2-(4-chlorophenyl)-N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 2994393
N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17116228
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3958836
N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-4-ethylbenzamide
CID 3262820
N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17318351
N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-3,5-dimethylbenzamide
CID 1295105
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17111808
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17118198
N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-3,4,5-trimethoxybenzamide
CID 4317842
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide (CID 17319329) is N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is ORWBSBVMQRJIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl3N3O3S/c27-16-3-5-18(19(28)14-16)22-7-8-23(35-22)25(33)30-17-4-6-21(20(29)15-17)31-9-11-32(12-10-31)26(34)24-2-1-13-36-24/h1-8,13-15H,9-12H2,(H,30,33).
What are the key properties of N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 560.89 g/mol, XLogP of 7.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 17319329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).