N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide

C32H32N2O5S — CID 19707450

IUPACN-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide
SMILESCOc1ccc(C(Cc2ccncc2)c2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2)cc1OC1CCCC1
InChIInChI=1S/C32H32N2O5S/c1-38-30-16-15-26(22-31(30)39-27-7-5-6-8-27)29(21-23-17-19-33-20-18-23)24-11-13-25(14-12-24)32(35)34-40(36,37)28-9-3-2-4-10-28/h2-4,9-20,22,27,29H,5-8,21H2,1H3,(H,34,35)
InChIKeyNHVBPIIEWPUQTH-UHFFFAOYSA-N
MW556.68 g/mol
LogP5.90
Rot. Bonds10

About N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide

N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide (PubChem CID 19707450) has the molecular formula C32H32N2O5S and a molecular weight of 556.68 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide
PubChem CID19707450
Molecular FormulaC32H32N2O5S
Molecular Weight556.68 g/mol
Exact Mass556.20
IUPAC NameN-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide
SMILESCOc1ccc(C(Cc2ccncc2)c2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2)cc1OC1CCCC1
InChIInChI=1S/C32H32N2O5S/c1-38-30-16-15-26(22-31(30)39-27-7-5-6-8-27)29(21-23-17-19-33-20-18-23)24-11-13-25(14-12-24)32(35)34-40(36,37)28-9-3-2-4-10-28/h2-4,9-20,22,27,29H,5-8,21H2,1H3,(H,34,35)
InChIKeyNHVBPIIEWPUQTH-UHFFFAOYSA-N
XLogP5.90
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.68
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide
CID 140672553
1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea
CID 56989314
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine
CID 54365893
2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol
CID 70066578
N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide
CID 21360946
methyl 4-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]benzoate
CID 10874102
1-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-ethylurea
CID 73086463
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
N-[4-[1-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide
CID 70082847
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 120512153

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide?
The IUPAC name of N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide (CID 19707450) is N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide?
The canonical SMILES for N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide is COc1ccc(C(Cc2ccncc2)c2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2)cc1OC1CCCC1.
What is the InChIKey of N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide?
The InChIKey is NHVBPIIEWPUQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O5S/c1-38-30-16-15-26(22-31(30)39-27-7-5-6-8-27)29(21-23-17-19-33-20-18-23)24-11-13-25(14-12-24)32(35)34-40(36,37)28-9-3-2-4-10-28/h2-4,9-20,22,27,29H,5-8,21H2,1H3,(H,34,35).
What are the key properties of N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide?
N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide has a molecular weight of 556.68 g/mol, XLogP of 5.90, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide is sourced from PubChem (CID 19707450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).