N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide

C32H34N2O4S — CID 21360946

IUPACN-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(C(Cc2ccncc2)c2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc1OC1CCCC1
InChIInChI=1S/C32H34N2O4S/c1-37-31-15-14-27(22-32(31)38-29-12-5-6-13-29)30(20-24-16-18-33-19-17-24)26-10-7-11-28(21-26)34-39(35,36)23-25-8-3-2-4-9-25/h2-4,7-11,14-19,21-22,29-30,34H,5-6,12-13,20,23H2,1H3
InChIKeyHWSYGUKLYWORAI-UHFFFAOYSA-N
MW542.70 g/mol
LogP6.73
Rot. Bonds11

About N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide

N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide (PubChem CID 21360946) has the molecular formula C32H34N2O4S and a molecular weight of 542.70 g/mol. Its IUPAC name is N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide
PubChem CID21360946
Molecular FormulaC32H34N2O4S
Molecular Weight542.70 g/mol
Exact Mass542.22
IUPAC NameN-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(C(Cc2ccncc2)c2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc1OC1CCCC1
InChIInChI=1S/C32H34N2O4S/c1-37-31-15-14-27(22-32(31)38-29-12-5-6-13-29)30(20-24-16-18-33-19-17-24)26-10-7-11-28(21-26)34-39(35,36)23-25-8-3-2-4-9-25/h2-4,7-11,14-19,21-22,29-30,34H,5-6,12-13,20,23H2,1H3
InChIKeyHWSYGUKLYWORAI-UHFFFAOYSA-N
XLogP6.73
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.70
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide (CID 21360946) is N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide is COc1ccc(C(Cc2ccncc2)c2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc1OC1CCCC1.
What is the InChIKey of N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide?
The InChIKey is HWSYGUKLYWORAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O4S/c1-37-31-15-14-27(22-32(31)38-29-12-5-6-13-29)30(20-24-16-18-33-19-17-24)26-10-7-11-28(21-26)34-39(35,36)23-25-8-3-2-4-9-25/h2-4,7-11,14-19,21-22,29-30,34H,5-6,12-13,20,23H2,1H3.
What are the key properties of N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide?
N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide has a molecular weight of 542.70 g/mol, XLogP of 6.73, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 21360946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).