1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide

C27H36N2O4S — CID 55977941

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
SMILESCOc1ccccc1CN1CCC(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)CC1
InChIInChI=1S/C27H36N2O4S/c1-20-10-11-21(2)25(18-20)34(31,32)27(14-6-7-15-27)26(30)28-23-12-16-29(17-13-23)19-22-8-4-5-9-24(22)33-3/h4-5,8-11,18,23H,6-7,12-17,19H2,1-3H3,(H,28,30)
InChIKeyUYMYQRLGBDERCH-UHFFFAOYSA-N
MW484.66 g/mol
LogP4.18
Rot. Bonds7

About 1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide

1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide (PubChem CID 55977941) has the molecular formula C27H36N2O4S and a molecular weight of 484.66 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
PubChem CID55977941
Molecular FormulaC27H36N2O4S
Molecular Weight484.66 g/mol
Exact Mass484.24
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
SMILESCOc1ccccc1CN1CCC(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)CC1
InChIInChI=1S/C27H36N2O4S/c1-20-10-11-21(2)25(18-20)34(31,32)27(14-6-7-15-27)26(30)28-23-12-16-29(17-13-23)19-22-8-4-5-9-24(22)33-3/h4-5,8-11,18,23H,6-7,12-17,19H2,1-3H3,(H,28,30)
InChIKeyUYMYQRLGBDERCH-UHFFFAOYSA-N
XLogP4.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.66
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide
CID 55527426
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 55979347
N-[1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39511914
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 56553050
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide
CID 55979610
N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 46807966
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560891
2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
1-(2,5-dimethylphenyl)sulfonyl-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 55962108
N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 3373355
1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 55978323

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide (CID 55977941) is 1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide is COc1ccccc1CN1CCC(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)CC1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide?
The InChIKey is UYMYQRLGBDERCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O4S/c1-20-10-11-21(2)25(18-20)34(31,32)27(14-6-7-15-27)26(30)28-23-12-16-29(17-13-23)19-22-8-4-5-9-24(22)33-3/h4-5,8-11,18,23H,6-7,12-17,19H2,1-3H3,(H,28,30).
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide?
1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide has a molecular weight of 484.66 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55977941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).