N-[4-chloro-2-[5-[5-[5-chloro-2-(pyridine-2-carbonylamino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pyridine-2-carboxamide

C32H20Cl2N4O2S2 — CID 166438331

IUPACN-[4-chloro-2-[5-[5-[5-chloro-2-(pyridine-2-carbonylamino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-c1ccc(-c2ccc(-c3cc(Cl)ccc3NC(=O)c3ccccn3)s2)s1)c1ccccn1
InChIInChI=1S/C32H20Cl2N4O2S2/c33-19-7-9-23(37-31(39)25-5-1-3-15-35-25)21(17-19)27-11-13-29(41-27)30-14-12-28(42-30)22-18-20(34)8-10-24(22)38-32(40)26-6-2-4-16-36-26/h1-18H,(H,37,39)(H,38,40)
InChIKeyGYXYABPEHQSBOS-UHFFFAOYSA-N
MW627.58 g/mol
LogP9.41
Rot. Bonds7

About N-[4-chloro-2-[5-[5-[5-chloro-2-(pyridine-2-carbonylamino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pyridine-2-carboxamide

N-[4-chloro-2-[5-[5-[5-chloro-2-(pyridine-2-carbonylamino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 166438331) has the molecular formula C32H20Cl2N4O2S2 and a molecular weight of 627.58 g/mol. Its IUPAC name is N-[4-chloro-2-[5-[5-[5-chloro-2-(pyridine-2-carbonylamino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[5-[5-[5-chloro-2-(pyridine-2-carbonylamino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID166438331
Molecular FormulaC32H20Cl2N4O2S2
Molecular Weight627.58 g/mol
Exact Mass626.04
IUPAC NameN-[4-chloro-2-[5-[5-[5-chloro-2-(pyridine-2-carbonylamino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-c1ccc(-c2ccc(-c3cc(Cl)ccc3NC(=O)c3ccccn3)s2)s1)c1ccccn1
InChIInChI=1S/C32H20Cl2N4O2S2/c33-19-7-9-23(37-31(39)25-5-1-3-15-35-25)21(17-19)27-11-13-29(41-27)30-14-12-28(42-30)22-18-20(34)8-10-24(22)38-32(40)26-6-2-4-16-36-26/h1-18H,(H,37,39)(H,38,40)
InChIKeyGYXYABPEHQSBOS-UHFFFAOYSA-N
XLogP9.41
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.58
LogP ≤ 59.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[5-[5-[5-chloro-2-(pyridine-2-carbonylamino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-chloro-2-[5-[5-[5-chloro-2-(pyridine-2-carbonylamino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pyridine-2-carboxamide (CID 166438331) is N-[4-chloro-2-[5-[5-[5-chloro-2-(pyridine-2-carbonylamino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[5-[5-[5-chloro-2-(pyridine-2-carbonylamino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-[5-[5-[5-chloro-2-(pyridine-2-carbonylamino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(Cl)cc1-c1ccc(-c2ccc(-c3cc(Cl)ccc3NC(=O)c3ccccn3)s2)s1)c1ccccn1.
What is the InChIKey of N-[4-chloro-2-[5-[5-[5-chloro-2-(pyridine-2-carbonylamino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is GYXYABPEHQSBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20Cl2N4O2S2/c33-19-7-9-23(37-31(39)25-5-1-3-15-35-25)21(17-19)27-11-13-29(41-27)30-14-12-28(42-30)22-18-20(34)8-10-24(22)38-32(40)26-6-2-4-16-36-26/h1-18H,(H,37,39)(H,38,40).
What are the key properties of N-[4-chloro-2-[5-[5-[5-chloro-2-(pyridine-2-carbonylamino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pyridine-2-carboxamide?
N-[4-chloro-2-[5-[5-[5-chloro-2-(pyridine-2-carbonylamino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 627.58 g/mol, XLogP of 9.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[5-[5-[5-chloro-2-(pyridine-2-carbonylamino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 166438331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).