2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide

C27H30N2O5S — CID 140672553

IUPAC2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide
SMILESCOc1ccc([C@H](Cc2ccncc2)c2ccc(C(=O)CS(N)(=O)=O)cc2)cc1OC1CCCC1
InChIInChI=1S/C27H30N2O5S/c1-33-26-11-10-22(17-27(26)34-23-4-2-3-5-23)24(16-19-12-14-29-15-13-19)20-6-8-21(9-7-20)25(30)18-35(28,31)32/h6-15,17,23-24H,2-5,16,18H2,1H3,(H2,28,31,32)/t24-/m1/s1
InChIKeyFSJPXPPWGRYYMH-XMMPIXPASA-N
MW494.61 g/mol
LogP4.26
Rot. Bonds10

About 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide

2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide (PubChem CID 140672553) has the molecular formula C27H30N2O5S and a molecular weight of 494.61 g/mol. Its IUPAC name is 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide
PubChem CID140672553
Molecular FormulaC27H30N2O5S
Molecular Weight494.61 g/mol
Exact Mass494.19
IUPAC Name2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide
SMILESCOc1ccc([C@H](Cc2ccncc2)c2ccc(C(=O)CS(N)(=O)=O)cc2)cc1OC1CCCC1
InChIInChI=1S/C27H30N2O5S/c1-33-26-11-10-22(17-27(26)34-23-4-2-3-5-23)24(16-19-12-14-29-15-13-19)20-6-8-21(9-7-20)25(30)18-35(28,31)32/h6-15,17,23-24H,2-5,16,18H2,1H3,(H2,28,31,32)/t24-/m1/s1
InChIKeyFSJPXPPWGRYYMH-XMMPIXPASA-N
XLogP4.26
TPSA108.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide
CID 19707450
2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol
CID 70066578
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine
CID 54365893
methyl 4-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]benzoate
CID 10874102
1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea
CID 56989314
1-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-ethylurea
CID 73086463
N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide
CID 21360946
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid
CID 67654163
1-[3-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 59094641
2-cyano-N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-N'-methylethanimidamide
CID 91350902
4-[2-(4-cyclohexyloxy-3-methoxyphenyl)-2-phenylethyl]pyridine;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
CID 159673916
N-[4-[1-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide
CID 70082847

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide?
The IUPAC name of 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide (CID 140672553) is 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide.
What is the SMILES notation for 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide?
The canonical SMILES for 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide is COc1ccc([C@H](Cc2ccncc2)c2ccc(C(=O)CS(N)(=O)=O)cc2)cc1OC1CCCC1.
What is the InChIKey of 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide?
The InChIKey is FSJPXPPWGRYYMH-XMMPIXPASA-N. The full InChI is InChI=1S/C27H30N2O5S/c1-33-26-11-10-22(17-27(26)34-23-4-2-3-5-23)24(16-19-12-14-29-15-13-19)20-6-8-21(9-7-20)25(30)18-35(28,31)32/h6-15,17,23-24H,2-5,16,18H2,1H3,(H2,28,31,32)/t24-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide?
2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide has a molecular weight of 494.61 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide is sourced from PubChem (CID 140672553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).