2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C22H26N2O4S — CID 28552190

IUPAC2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H26N2O4S/c25-22(23-21-9-5-7-17-6-1-2-8-20(17)21)16-28-18-10-12-19(13-11-18)29(26,27)24-14-3-4-15-24/h1-2,6,8,10-13,21H,3-5,7,9,14-16H2,(H,23,25)/t21-/m0/s1
InChIKeySHKRZDPKLXITPX-NRFANRHFSA-N
MW414.53 g/mol
LogP3.04
Rot. Bonds6

About 2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 28552190) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID28552190
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H26N2O4S/c25-22(23-21-9-5-7-17-6-1-2-8-20(17)21)16-28-18-10-12-19(13-11-18)29(26,27)24-14-3-4-15-24/h1-2,6,8,10-13,21H,3-5,7,9,14-16H2,(H,23,25)/t21-/m0/s1
InChIKeySHKRZDPKLXITPX-NRFANRHFSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28555984
2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873581
2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553121
2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873176
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51273599
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 23767525
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553683
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553266
2-(4-phenylmethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919823
N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide
CID 25414621
2-[4-(1-phenylethylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873202
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4092541

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 28552190) is 2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is SHKRZDPKLXITPX-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26N2O4S/c25-22(23-21-9-5-7-17-6-1-2-8-20(17)21)16-28-18-10-12-19(13-11-18)29(26,27)24-14-3-4-15-24/h1-2,6,8,10-13,21H,3-5,7,9,14-16H2,(H,23,25)/t21-/m0/s1.
What are the key properties of 2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 414.53 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 28552190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).