cis-(1S,3S)-3-(methylsulfamoyl)-1-[[3-(2-phenylmethoxyphenyl)cyclobutyl]oxymethyl]cyclopentane-1-carboxamide

C25H32N2O5S — CID 172613324

IUPACcis-(1S,3S)-3-(methylsulfamoyl)-1-[[3-(2-phenylmethoxyphenyl)cyclobutyl]oxymethyl]cyclopentane-1-carboxamide
SMILESCNS(=O)(=O)[C@H]1CC[C@](COC2CC(c3ccccc3OCc3ccccc3)C2)(C(N)=O)C1
InChIInChI=1S/C25H32N2O5S/c1-27-33(29,30)21-11-12-25(15-21,24(26)28)17-32-20-13-19(14-20)22-9-5-6-10-23(22)31-16-18-7-3-2-4-8-18/h2-10,19-21,27H,11-17H2,1H3,(H2,26,28)/t19?,20?,21-,25-/m0/s1
InChIKeyGXSSYNNUVZZHSJ-OWMNSNAJSA-N
MW472.61 g/mol
LogP3.10
Rot. Bonds10

About cis-(1S,3S)-3-(methylsulfamoyl)-1-[[3-(2-phenylmethoxyphenyl)cyclobutyl]oxymethyl]cyclopentane-1-carboxamide

cis-(1S,3S)-3-(methylsulfamoyl)-1-[[3-(2-phenylmethoxyphenyl)cyclobutyl]oxymethyl]cyclopentane-1-carboxamide (PubChem CID 172613324) has the molecular formula C25H32N2O5S and a molecular weight of 472.61 g/mol. Its IUPAC name is cis-(1S,3S)-3-(methylsulfamoyl)-1-[[3-(2-phenylmethoxyphenyl)cyclobutyl]oxymethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-3-(methylsulfamoyl)-1-[[3-(2-phenylmethoxyphenyl)cyclobutyl]oxymethyl]cyclopentane-1-carboxamide
PubChem CID172613324
Molecular FormulaC25H32N2O5S
Molecular Weight472.61 g/mol
Exact Mass472.20
IUPAC Namecis-(1S,3S)-3-(methylsulfamoyl)-1-[[3-(2-phenylmethoxyphenyl)cyclobutyl]oxymethyl]cyclopentane-1-carboxamide
SMILESCNS(=O)(=O)[C@H]1CC[C@](COC2CC(c3ccccc3OCc3ccccc3)C2)(C(N)=O)C1
InChIInChI=1S/C25H32N2O5S/c1-27-33(29,30)21-11-12-25(15-21,24(26)28)17-32-20-13-19(14-20)22-9-5-6-10-23(22)31-16-18-7-3-2-4-8-18/h2-10,19-21,27H,11-17H2,1H3,(H2,26,28)/t19?,20?,21-,25-/m0/s1
InChIKeyGXSSYNNUVZZHSJ-OWMNSNAJSA-N
XLogP3.10
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-amino-3-[4-(2-phenylmethoxyphenyl)cyclohexyl]oxypropanoate;sulfane;hydrochloride
CID 165109762
[4-(2-phenylmethoxyphenyl)cyclohexyl]oxymethyl pyrrolidine-1-carboxylate
CID 175767596
ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol
CID 163370228
2-methylpropyl 6-methyl-2-oxo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844371
methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 146486756
cis-(1S,3S)-3-(methanesulfonamido)-1-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]oxymethyl]cyclopentane-1-carboxamide
CID 172613142
N-benzyl-6-methyl-2-oxo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2984592
N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456122
benzyl (4R)-6-methyl-4-(2-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41072571
6-phenyl-4-(2-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2962566
2-cyclopropyl-3-phenylmethoxyaniline
CID 171391047
(1-carbamoylcyclohexyl) 3-[2,4-bis(phenylmethoxy)phenyl]pyrrolidine-1-carboxylate
CID 123929349

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-3-(methylsulfamoyl)-1-[[3-(2-phenylmethoxyphenyl)cyclobutyl]oxymethyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-3-(methylsulfamoyl)-1-[[3-(2-phenylmethoxyphenyl)cyclobutyl]oxymethyl]cyclopentane-1-carboxamide (CID 172613324) is cis-(1S,3S)-3-(methylsulfamoyl)-1-[[3-(2-phenylmethoxyphenyl)cyclobutyl]oxymethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-3-(methylsulfamoyl)-1-[[3-(2-phenylmethoxyphenyl)cyclobutyl]oxymethyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-3-(methylsulfamoyl)-1-[[3-(2-phenylmethoxyphenyl)cyclobutyl]oxymethyl]cyclopentane-1-carboxamide is CNS(=O)(=O)[C@H]1CC[C@](COC2CC(c3ccccc3OCc3ccccc3)C2)(C(N)=O)C1.
What is the InChIKey of cis-(1S,3S)-3-(methylsulfamoyl)-1-[[3-(2-phenylmethoxyphenyl)cyclobutyl]oxymethyl]cyclopentane-1-carboxamide?
The InChIKey is GXSSYNNUVZZHSJ-OWMNSNAJSA-N. The full InChI is InChI=1S/C25H32N2O5S/c1-27-33(29,30)21-11-12-25(15-21,24(26)28)17-32-20-13-19(14-20)22-9-5-6-10-23(22)31-16-18-7-3-2-4-8-18/h2-10,19-21,27H,11-17H2,1H3,(H2,26,28)/t19?,20?,21-,25-/m0/s1.
What are the key properties of cis-(1S,3S)-3-(methylsulfamoyl)-1-[[3-(2-phenylmethoxyphenyl)cyclobutyl]oxymethyl]cyclopentane-1-carboxamide?
cis-(1S,3S)-3-(methylsulfamoyl)-1-[[3-(2-phenylmethoxyphenyl)cyclobutyl]oxymethyl]cyclopentane-1-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-3-(methylsulfamoyl)-1-[[3-(2-phenylmethoxyphenyl)cyclobutyl]oxymethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 172613324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).