N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide

C21H18Cl2N4O2S — CID 55861643

IUPACN-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CCN(c3cccc(Cl)n3)CC2)ccc1Cl)c1cccs1
InChIInChI=1S/C21H18Cl2N4O2S/c22-15-7-6-14(13-16(15)24-20(28)17-3-2-12-30-17)21(29)27-10-8-26(9-11-27)19-5-1-4-18(23)25-19/h1-7,12-13H,8-11H2,(H,24,28)
InChIKeyQUVRTJHSUNUFSU-UHFFFAOYSA-N
MW461.37 g/mol
LogP4.66
Rot. Bonds4

About N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide (PubChem CID 55861643) has the molecular formula C21H18Cl2N4O2S and a molecular weight of 461.37 g/mol. Its IUPAC name is N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
PubChem CID55861643
Molecular FormulaC21H18Cl2N4O2S
Molecular Weight461.37 g/mol
Exact Mass460.05
IUPAC NameN-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CCN(c3cccc(Cl)n3)CC2)ccc1Cl)c1cccs1
InChIInChI=1S/C21H18Cl2N4O2S/c22-15-7-6-14(13-16(15)24-20(28)17-3-2-12-30-17)21(29)27-10-8-26(9-11-27)19-5-1-4-18(23)25-19/h1-7,12-13H,8-11H2,(H,24,28)
InChIKeyQUVRTJHSUNUFSU-UHFFFAOYSA-N
XLogP4.66
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 112800496
N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 51145614
N-[2-chloro-5-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55956560
N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119579255
N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 112826553
N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 41282701
N-[2-chloro-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55956968
N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
CID 55924296
N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 119468501
N-[2-chloro-5-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 99786614
N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride
CID 119595398
[1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate
CID 75387916

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide (CID 55861643) is N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide is O=C(Nc1cc(C(=O)N2CCN(c3cccc(Cl)n3)CC2)ccc1Cl)c1cccs1.
What is the InChIKey of N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The InChIKey is QUVRTJHSUNUFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O2S/c22-15-7-6-14(13-16(15)24-20(28)17-3-2-12-30-17)21(29)27-10-8-26(9-11-27)19-5-1-4-18(23)25-19/h1-7,12-13H,8-11H2,(H,24,28).
What are the key properties of N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide has a molecular weight of 461.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55861643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).