4-[[4-(4-chlorophenoxy)piperidin-1-yl]methylsulfanyl]-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-2-carboxamide

C24H23ClFN3O2S2 — CID 155310951

IUPAC4-[[4-(4-chlorophenoxy)piperidin-1-yl]methylsulfanyl]-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-2-carboxamide
SMILESC=Nc1sc(C(=O)Nc2ccc(F)cc2)cc1SCN1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H23ClFN3O2S2/c1-27-24-22(14-21(33-24)23(30)28-18-6-4-17(26)5-7-18)32-15-29-12-10-20(11-13-29)31-19-8-2-16(25)3-9-19/h2-9,14,20H,1,10-13,15H2,(H,28,30)
InChIKeyVZJQXJRPLSKMNW-UHFFFAOYSA-N
MW504.05 g/mol
LogP6.72
Rot. Bonds8

About 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methylsulfanyl]-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-2-carboxamide

4-[[4-(4-chlorophenoxy)piperidin-1-yl]methylsulfanyl]-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-2-carboxamide (PubChem CID 155310951) has the molecular formula C24H23ClFN3O2S2 and a molecular weight of 504.05 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methylsulfanyl]-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[[4-(4-chlorophenoxy)piperidin-1-yl]methylsulfanyl]-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-2-carboxamide
PubChem CID155310951
Molecular FormulaC24H23ClFN3O2S2
Molecular Weight504.05 g/mol
Exact Mass503.09
IUPAC Name4-[[4-(4-chlorophenoxy)piperidin-1-yl]methylsulfanyl]-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-2-carboxamide
SMILESC=Nc1sc(C(=O)Nc2ccc(F)cc2)cc1SCN1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H23ClFN3O2S2/c1-27-24-22(14-21(33-24)23(30)28-18-6-4-17(26)5-7-18)32-15-29-12-10-20(11-13-29)31-19-8-2-16(25)3-9-19/h2-9,14,20H,1,10-13,15H2,(H,28,30)
InChIKeyVZJQXJRPLSKMNW-UHFFFAOYSA-N
XLogP6.72
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.05
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methylsulfanyl]-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-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-(6-Chloro-3,4-dihydro-2H-1,4-benzoxazin-4-YL)-N-{2-[4-(2-fluorophenyl)piperazin-1-YL]ethyl}thiophene-2-carboxamide
CID 20887805
3-chloro-N-[3-fluoro-5-(1-methylpiperidin-4-yl)oxyphenyl]thiophene-2-carboxamide
CID 57893651
N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]phenyl]-4-[[2-hydroxyethyl(methyl)amino]methylsulfanyl]-5-(methylideneamino)thiophene-2-carboxamide
CID 155311014
4-[3-[(4-chlorophenoxy)methyl]-5-(methylamino)pentyl]sulfanyl-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-2-carboxamide
CID 155311400
N-[3-[3-(4-chlorophenoxy)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 124138635
4-[(4-chlorophenoxy)methyl]-N-(2,4-difluorophenyl)thiophene-2-carboxamide
CID 19503289
4-[(4-chlorophenoxy)methyl]-N-(2,5-difluorophenyl)thiophene-2-carboxamide
CID 19503293
4-[(4-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)thiophene-2-carboxamide
CID 19503294
4-[(4-chlorophenoxy)methyl]-N-(3-fluorophenyl)thiophene-2-carboxamide
CID 19503349
N-(3-chloro-4-fluorophenyl)-2-({5-[2-(morpholin-4-yl)ethyl]furan-2-yl}sulfanyl)acetamide
CID 35137930
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-3-carboxamide
CID 44526146
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide
CID 44526148

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methylsulfanyl]-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-2-carboxamide?
The IUPAC name of 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methylsulfanyl]-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-2-carboxamide (CID 155310951) is 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methylsulfanyl]-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-2-carboxamide.
What is the SMILES notation for 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methylsulfanyl]-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-2-carboxamide?
The canonical SMILES for 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methylsulfanyl]-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-2-carboxamide is C=Nc1sc(C(=O)Nc2ccc(F)cc2)cc1SCN1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methylsulfanyl]-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-2-carboxamide?
The InChIKey is VZJQXJRPLSKMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O2S2/c1-27-24-22(14-21(33-24)23(30)28-18-6-4-17(26)5-7-18)32-15-29-12-10-20(11-13-29)31-19-8-2-16(25)3-9-19/h2-9,14,20H,1,10-13,15H2,(H,28,30).
What are the key properties of 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methylsulfanyl]-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-2-carboxamide?
4-[[4-(4-chlorophenoxy)piperidin-1-yl]methylsulfanyl]-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-2-carboxamide has a molecular weight of 504.05 g/mol, XLogP of 6.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methylsulfanyl]-N-(4-fluorophenyl)-5-(methylideneamino)thiophene-2-carboxamide is sourced from PubChem (CID 155310951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).