3-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide

C25H28ClN3O3S — CID 10117027

IUPAC3-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide
SMILESCc1cc(N2CCC(N(C)C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)ccn1
InChIInChI=1S/C25H28ClN3O3S/c1-18-15-23(7-11-27-18)29-12-8-22(9-13-29)28(2)25(30)10-14-33(31,32)24-6-4-19-16-21(26)5-3-20(19)17-24/h3-7,11,15-17,22H,8-10,12-14H2,1-2H3
InChIKeyHPHLSPULJKIGAN-UHFFFAOYSA-N
MW486.04 g/mol
LogP4.49
Rot. Bonds6

About 3-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide

3-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide (PubChem CID 10117027) has the molecular formula C25H28ClN3O3S and a molecular weight of 486.04 g/mol. Its IUPAC name is 3-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide
PubChem CID10117027
Molecular FormulaC25H28ClN3O3S
Molecular Weight486.04 g/mol
Exact Mass485.15
IUPAC Name3-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide
SMILESCc1cc(N2CCC(N(C)C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)ccn1
InChIInChI=1S/C25H28ClN3O3S/c1-18-15-23(7-11-27-18)29-12-8-22(9-13-29)28(2)25(30)10-14-33(31,32)24-6-4-19-16-21(26)5-3-20(19)17-24/h3-7,11,15-17,22H,8-10,12-14H2,1-2H3
InChIKeyHPHLSPULJKIGAN-UHFFFAOYSA-N
XLogP4.49
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.04
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide (CID 10117027) is 3-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide is Cc1cc(N2CCC(N(C)C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)ccn1.
What is the InChIKey of 3-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide?
The InChIKey is HPHLSPULJKIGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O3S/c1-18-15-23(7-11-27-18)29-12-8-22(9-13-29)28(2)25(30)10-14-33(31,32)24-6-4-19-16-21(26)5-3-20(19)17-24/h3-7,11,15-17,22H,8-10,12-14H2,1-2H3.
What are the key properties of 3-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide?
3-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide has a molecular weight of 486.04 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 10117027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).