N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide

C24H36N2O5S — CID 24620340

IUPACN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide
SMILESCCOc1ccc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C24H36N2O5S/c1-4-26(5-2)32(29,30)21-10-19(7-8-20(21)31-6-3)25-22(27)15-23-11-17-9-18(12-23)14-24(28,13-17)16-23/h7-8,10,17-18,28H,4-6,9,11-16H2,1-3H3,(H,25,27)
InChIKeyQPSIVUYFHHURPD-UHFFFAOYSA-N
MW464.63 g/mol
LogP3.78
Rot. Bonds9

About N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide (PubChem CID 24620340) has the molecular formula C24H36N2O5S and a molecular weight of 464.63 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide
PubChem CID24620340
Molecular FormulaC24H36N2O5S
Molecular Weight464.63 g/mol
Exact Mass464.23
IUPAC NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide
SMILESCCOc1ccc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C24H36N2O5S/c1-4-26(5-2)32(29,30)21-10-19(7-8-20(21)31-6-3)25-22(27)15-23-11-17-9-18(12-23)14-24(28,13-17)16-23/h7-8,10,17-18,28H,4-6,9,11-16H2,1-3H3,(H,25,27)
InChIKeyQPSIVUYFHHURPD-UHFFFAOYSA-N
XLogP3.78
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.63
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 24549163
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
CID 55349891
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
CID 8796668
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119269605
N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 42942168
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 21175502
3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 112764541

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide (CID 24620340) is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide is CCOc1ccc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide?
The InChIKey is QPSIVUYFHHURPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O5S/c1-4-26(5-2)32(29,30)21-10-19(7-8-20(21)31-6-3)25-22(27)15-23-11-17-9-18(12-23)14-24(28,13-17)16-23/h7-8,10,17-18,28H,4-6,9,11-16H2,1-3H3,(H,25,27).
What are the key properties of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide?
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide has a molecular weight of 464.63 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide is sourced from PubChem (CID 24620340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).