N-(2-chloro-5-methylphenyl)-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide

C23H24ClN5O2S — CID 91634438

IUPACN-(2-chloro-5-methylphenyl)-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)N2CCN(c3ncccc3C(=O)NCc3cccs3)CC2)c1
InChIInChI=1S/C23H24ClN5O2S/c1-16-6-7-19(24)20(14-16)27-23(31)29-11-9-28(10-12-29)21-18(5-2-8-25-21)22(30)26-15-17-4-3-13-32-17/h2-8,13-14H,9-12,15H2,1H3,(H,26,30)(H,27,31)
InChIKeyOUYAPPZOUSHJRL-UHFFFAOYSA-N
MW470.00 g/mol
LogP4.39
Rot. Bonds5

About N-(2-chloro-5-methylphenyl)-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide

N-(2-chloro-5-methylphenyl)-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 91634438) has the molecular formula C23H24ClN5O2S and a molecular weight of 470.00 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID91634438
Molecular FormulaC23H24ClN5O2S
Molecular Weight470.00 g/mol
Exact Mass469.13
IUPAC NameN-(2-chloro-5-methylphenyl)-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)N2CCN(c3ncccc3C(=O)NCc3cccs3)CC2)c1
InChIInChI=1S/C23H24ClN5O2S/c1-16-6-7-19(24)20(14-16)27-23(31)29-11-9-28(10-12-29)21-18(5-2-8-25-21)22(30)26-15-17-4-3-13-32-17/h2-8,13-14H,9-12,15H2,1H3,(H,26,30)(H,27,31)
InChIKeyOUYAPPZOUSHJRL-UHFFFAOYSA-N
XLogP4.39
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.00
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide (CID 91634438) is N-(2-chloro-5-methylphenyl)-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide is Cc1ccc(Cl)c(NC(=O)N2CCN(c3ncccc3C(=O)NCc3cccs3)CC2)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is OUYAPPZOUSHJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2S/c1-16-6-7-19(24)20(14-16)27-23(31)29-11-9-28(10-12-29)21-18(5-2-8-25-21)22(30)26-15-17-4-3-13-32-17/h2-8,13-14H,9-12,15H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-(2-chloro-5-methylphenyl)-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide?
N-(2-chloro-5-methylphenyl)-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 470.00 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 91634438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).