1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea

C33H35N3O5S — CID 56989314

IUPAC1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea
SMILESCOc1ccc(C(Cc2ccncc2)c2ccc(NC(=O)NS(=O)(=O)c3ccccc3C)cc2)cc1OC1CCCC1
InChIInChI=1S/C33H35N3O5S/c1-23-7-3-6-10-32(23)42(38,39)36-33(37)35-27-14-11-25(12-15-27)29(21-24-17-19-34-20-18-24)26-13-16-30(40-2)31(22-26)41-28-8-4-5-9-28/h3,6-7,10-20,22,28-29H,4-5,8-9,21H2,1-2H3,(H2,35,36,37)
InChIKeyLZZZAZGKNZLIGC-UHFFFAOYSA-N
MW585.73 g/mol
LogP6.61
Rot. Bonds10

About 1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea

1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea (PubChem CID 56989314) has the molecular formula C33H35N3O5S and a molecular weight of 585.73 g/mol. Its IUPAC name is 1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea
PubChem CID56989314
Molecular FormulaC33H35N3O5S
Molecular Weight585.73 g/mol
Exact Mass585.23
IUPAC Name1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea
SMILESCOc1ccc(C(Cc2ccncc2)c2ccc(NC(=O)NS(=O)(=O)c3ccccc3C)cc2)cc1OC1CCCC1
InChIInChI=1S/C33H35N3O5S/c1-23-7-3-6-10-32(23)42(38,39)36-33(37)35-27-14-11-25(12-15-27)29(21-24-17-19-34-20-18-24)26-13-16-30(40-2)31(22-26)41-28-8-4-5-9-28/h3,6-7,10-20,22,28-29H,4-5,8-9,21H2,1-2H3,(H2,35,36,37)
InChIKeyLZZZAZGKNZLIGC-UHFFFAOYSA-N
XLogP6.61
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.73
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide
CID 19707450
1-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-ethylurea
CID 73086463
2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide
CID 140672553
1-[3-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 59094641
N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide
CID 21360946
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
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid
CID 67654163
N-[4-[1-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide
CID 70082847
2-cyano-N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-N'-methylethanimidamide
CID 91350902
methyl 4-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]benzoate
CID 10874102
4-[2-(4-cyclohexyloxy-3-methoxyphenyl)-2-phenylethyl]pyridine;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
CID 159673916

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea?
The IUPAC name of 1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea (CID 56989314) is 1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea is COc1ccc(C(Cc2ccncc2)c2ccc(NC(=O)NS(=O)(=O)c3ccccc3C)cc2)cc1OC1CCCC1.
What is the InChIKey of 1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea?
The InChIKey is LZZZAZGKNZLIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O5S/c1-23-7-3-6-10-32(23)42(38,39)36-33(37)35-27-14-11-25(12-15-27)29(21-24-17-19-34-20-18-24)26-13-16-30(40-2)31(22-26)41-28-8-4-5-9-28/h3,6-7,10-20,22,28-29H,4-5,8-9,21H2,1-2H3,(H2,35,36,37).
What are the key properties of 1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea?
1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea has a molecular weight of 585.73 g/mol, XLogP of 6.61, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea is sourced from PubChem (CID 56989314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).