2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide

C19H30N2O4S — CID 1307702

IUPAC2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C19H30N2O4S/c1-3-15(2)21-26(23,24)18-12-10-17(11-13-18)25-14-19(22)20-16-8-6-4-5-7-9-16/h10-13,15-16,21H,3-9,14H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyANSXELQODIDGIY-OAHLLOKOSA-N
MW382.53 g/mol
LogP2.98
Rot. Bonds8

About 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide

2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide (PubChem CID 1307702) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide
PubChem CID1307702
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C19H30N2O4S/c1-3-15(2)21-26(23,24)18-12-10-17(11-13-18)25-14-19(22)20-16-8-6-4-5-7-9-16/h10-13,15-16,21H,3-9,14H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyANSXELQODIDGIY-OAHLLOKOSA-N
XLogP2.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide with MolForge

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate
CID 7828322
[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323906
4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 6957905
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1088506
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1088507
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate
CID 8954900
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 8954903
N-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 4574357
[2-(cyclooctylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16565526
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide
CID 3886490
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide?
The IUPAC name of 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide (CID 1307702) is 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide?
The canonical SMILES for 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide is CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1.
What is the InChIKey of 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide?
The InChIKey is ANSXELQODIDGIY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-3-15(2)21-26(23,24)18-12-10-17(11-13-18)25-14-19(22)20-16-8-6-4-5-7-9-16/h10-13,15-16,21H,3-9,14H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide?
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide has a molecular weight of 382.53 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide is sourced from PubChem (CID 1307702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).