[2-amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone

C23H22Cl2N2OS — CID 66551462

IUPAC[2-amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2c(N)sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H22Cl2N2OS/c1-14-10-12-27(13-11-14)23(28)20-19(15-2-6-17(24)7-3-15)21(29-22(20)26)16-4-8-18(25)9-5-16/h2-9,14H,10-13,26H2,1H3
InChIKeyQLSRUOLLKWMULN-UHFFFAOYSA-N
MW445.42 g/mol
LogP6.84
Rot. Bonds3

About [2-amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone

[2-amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 66551462) has the molecular formula C23H22Cl2N2OS and a molecular weight of 445.42 g/mol. Its IUPAC name is [2-amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID66551462
Molecular FormulaC23H22Cl2N2OS
Molecular Weight445.42 g/mol
Exact Mass444.08
IUPAC Name[2-amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2c(N)sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H22Cl2N2OS/c1-14-10-12-27(13-11-14)23(28)20-19(15-2-6-17(24)7-3-15)21(29-22(20)26)16-4-8-18(25)9-5-16/h2-9,14H,10-13,26H2,1H3
InChIKeyQLSRUOLLKWMULN-UHFFFAOYSA-N
XLogP6.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.42
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

Analyze [2-amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone 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

(2-Amino-4-((4-phenylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone
CID 25068663
(2-Amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)(4-chlorophenyl)methanone
CID 2814020
2-(4-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 2066142
(2-Amino-4-((4-methylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone
CID 25068664
(2-Amino-4-((4-cyclohexylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone
CID 25068880
(2-Amino-4-((4-benzylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone
CID 25068942
2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropylthiophene-3-carboxamide
CID 60165326
p53-MDM2 inhibitor MCL0527-3
CID 60168728
2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide
CID 66551656
(2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-chlorophenyl)methanone
CID 2814021
4-Methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-amine
CID 2090156
2-(4-Chlorobenzamido)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 4252189

Frequently Asked Questions

What is the IUPAC name of [2-amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 66551462) is [2-amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2c(N)sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of [2-amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is QLSRUOLLKWMULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2OS/c1-14-10-12-27(13-11-14)23(28)20-19(15-2-6-17(24)7-3-15)21(29-22(20)26)16-4-8-18(25)9-5-16/h2-9,14H,10-13,26H2,1H3.
What are the key properties of [2-amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone?
[2-amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 445.42 g/mol, XLogP of 6.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 66551462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).