N-[3-(3-aminopropoxy)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)thiophene-2-carbonyl]-4-cyclohexylpiperidine-4-carboxamide

C32H36Cl3N3O3S — CID 66697761

IUPACN-[3-(3-aminopropoxy)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)thiophene-2-carbonyl]-4-cyclohexylpiperidine-4-carboxamide
SMILESNCCCOc1c(C(=O)NC(=O)C2(C3CCCCC3)CCNCC2)sc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C32H36Cl3N3O3S/c33-22-9-7-20(8-10-22)26-27(41-18-4-15-36)29(42-28(26)24-12-11-23(34)19-25(24)35)30(39)38-31(40)32(13-16-37-17-14-32)21-5-2-1-3-6-21/h7-12,19,21,37H,1-6,13-18,36H2,(H,38,39,40)
InChIKeySAEYFGJHIOABTK-UHFFFAOYSA-N
MW649.08 g/mol
LogP7.98
Rot. Bonds9

About N-[3-(3-aminopropoxy)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)thiophene-2-carbonyl]-4-cyclohexylpiperidine-4-carboxamide

N-[3-(3-aminopropoxy)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)thiophene-2-carbonyl]-4-cyclohexylpiperidine-4-carboxamide (PubChem CID 66697761) has the molecular formula C32H36Cl3N3O3S and a molecular weight of 649.08 g/mol. Its IUPAC name is N-[3-(3-aminopropoxy)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)thiophene-2-carbonyl]-4-cyclohexylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminopropoxy)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)thiophene-2-carbonyl]-4-cyclohexylpiperidine-4-carboxamide
PubChem CID66697761
Molecular FormulaC32H36Cl3N3O3S
Molecular Weight649.08 g/mol
Exact Mass647.15
IUPAC NameN-[3-(3-aminopropoxy)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)thiophene-2-carbonyl]-4-cyclohexylpiperidine-4-carboxamide
SMILESNCCCOc1c(C(=O)NC(=O)C2(C3CCCCC3)CCNCC2)sc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C32H36Cl3N3O3S/c33-22-9-7-20(8-10-22)26-27(41-18-4-15-36)29(42-28(26)24-12-11-23(34)19-25(24)35)30(39)38-31(40)32(13-16-37-17-14-32)21-5-2-1-3-6-21/h7-12,19,21,37H,1-6,13-18,36H2,(H,38,39,40)
InChIKeySAEYFGJHIOABTK-UHFFFAOYSA-N
XLogP7.98
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.08
LogP ≤ 57.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(3-aminopropoxy)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)thiophene-2-carbonyl]-4-cyclohexylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropoxy)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)thiophene-2-carbonyl]-4-cyclohexylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(3-aminopropoxy)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)thiophene-2-carbonyl]-4-cyclohexylpiperidine-4-carboxamide (CID 66697761) is N-[3-(3-aminopropoxy)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)thiophene-2-carbonyl]-4-cyclohexylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-aminopropoxy)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)thiophene-2-carbonyl]-4-cyclohexylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-aminopropoxy)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)thiophene-2-carbonyl]-4-cyclohexylpiperidine-4-carboxamide is NCCCOc1c(C(=O)NC(=O)C2(C3CCCCC3)CCNCC2)sc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(3-aminopropoxy)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)thiophene-2-carbonyl]-4-cyclohexylpiperidine-4-carboxamide?
The InChIKey is SAEYFGJHIOABTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36Cl3N3O3S/c33-22-9-7-20(8-10-22)26-27(41-18-4-15-36)29(42-28(26)24-12-11-23(34)19-25(24)35)30(39)38-31(40)32(13-16-37-17-14-32)21-5-2-1-3-6-21/h7-12,19,21,37H,1-6,13-18,36H2,(H,38,39,40).
What are the key properties of N-[3-(3-aminopropoxy)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)thiophene-2-carbonyl]-4-cyclohexylpiperidine-4-carboxamide?
N-[3-(3-aminopropoxy)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)thiophene-2-carbonyl]-4-cyclohexylpiperidine-4-carboxamide has a molecular weight of 649.08 g/mol, XLogP of 7.98, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropoxy)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)thiophene-2-carbonyl]-4-cyclohexylpiperidine-4-carboxamide is sourced from PubChem (CID 66697761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).