N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethyl]piperidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide

C24H24Cl2N4O2S — CID 44536963

IUPACN-[1-[2-[(3,4-dichlorobenzoyl)amino]ethyl]piperidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide
SMILESO=C(NCCN1CCC(NC(=O)c2ccc(-c3ccccn3)s2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H24Cl2N4O2S/c25-18-5-4-16(15-19(18)26)23(31)28-11-14-30-12-8-17(9-13-30)29-24(32)22-7-6-21(33-22)20-3-1-2-10-27-20/h1-7,10,15,17H,8-9,11-14H2,(H,28,31)(H,29,32)
InChIKeyQQIWXGOWOLFDAZ-UHFFFAOYSA-N
MW503.46 g/mol
LogP4.74
Rot. Bonds7

About N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethyl]piperidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide

N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethyl]piperidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 44536963) has the molecular formula C24H24Cl2N4O2S and a molecular weight of 503.46 g/mol. Its IUPAC name is N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethyl]piperidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[(3,4-dichlorobenzoyl)amino]ethyl]piperidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide
PubChem CID44536963
Molecular FormulaC24H24Cl2N4O2S
Molecular Weight503.46 g/mol
Exact Mass502.10
IUPAC NameN-[1-[2-[(3,4-dichlorobenzoyl)amino]ethyl]piperidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide
SMILESO=C(NCCN1CCC(NC(=O)c2ccc(-c3ccccn3)s2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H24Cl2N4O2S/c25-18-5-4-16(15-19(18)26)23(31)28-11-14-30-12-8-17(9-13-30)29-24(32)22-7-6-21(33-22)20-3-1-2-10-27-20/h1-7,10,15,17H,8-9,11-14H2,(H,28,31)(H,29,32)
InChIKeyQQIWXGOWOLFDAZ-UHFFFAOYSA-N
XLogP4.74
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.46
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethyl]piperidin-4-yl]-5-pyridin-2-ylthiophene-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

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethyl]piperidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethyl]piperidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide (CID 44536963) is N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethyl]piperidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethyl]piperidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethyl]piperidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide is O=C(NCCN1CCC(NC(=O)c2ccc(-c3ccccn3)s2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethyl]piperidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is QQIWXGOWOLFDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O2S/c25-18-5-4-16(15-19(18)26)23(31)28-11-14-30-12-8-17(9-13-30)29-24(32)22-7-6-21(33-22)20-3-1-2-10-27-20/h1-7,10,15,17H,8-9,11-14H2,(H,28,31)(H,29,32).
What are the key properties of N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethyl]piperidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethyl]piperidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 503.46 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethyl]piperidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 44536963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).