2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C24H24N2O4S — CID 28553121

IUPAC2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C24H24N2O4S/c27-24(25-23-12-6-8-18-7-4-5-11-22(18)23)17-30-20-13-15-21(16-14-20)31(28,29)26-19-9-2-1-3-10-19/h1-5,7,9-11,13-16,23,26H,6,8,12,17H2,(H,25,27)/t23-/m1/s1
InChIKeyPQTYUGCAQOEQPK-HSZRJFAPSA-N
MW436.53 g/mol
LogP4.06
Rot. Bonds7

About 2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 28553121) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID28553121
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C24H24N2O4S/c27-24(25-23-12-6-8-18-7-4-5-11-22(18)23)17-30-20-13-15-21(16-14-20)31(28,29)26-19-9-2-1-3-10-19/h1-5,7,9-11,13-16,23,26H,6,8,12,17H2,(H,25,27)/t23-/m1/s1
InChIKeyPQTYUGCAQOEQPK-HSZRJFAPSA-N
XLogP4.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 28553121) is 2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is PQTYUGCAQOEQPK-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24N2O4S/c27-24(25-23-12-6-8-18-7-4-5-11-22(18)23)17-30-20-13-15-21(16-14-20)31(28,29)26-19-9-2-1-3-10-19/h1-5,7,9-11,13-16,23,26H,6,8,12,17H2,(H,25,27)/t23-/m1/s1.
What are the key properties of 2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 436.53 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 28553121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).