2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide

C25H34N2O4S — CID 55636206

IUPAC2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C25H34N2O4S/c28-23(15-25-12-17-8-18(13-25)10-19(9-17)14-25)26-16-24(29)27-20-4-3-7-22(11-20)32(30,31)21-5-1-2-6-21/h3-4,7,11,17-19,21H,1-2,5-6,8-10,12-16H2,(H,26,28)(H,27,29)
InChIKeyOITUDRNUJNUCTC-UHFFFAOYSA-N
MW458.62 g/mol
LogP4.06
Rot. Bonds7

About 2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide (PubChem CID 55636206) has the molecular formula C25H34N2O4S and a molecular weight of 458.62 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide
PubChem CID55636206
Molecular FormulaC25H34N2O4S
Molecular Weight458.62 g/mol
Exact Mass458.22
IUPAC Name2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C25H34N2O4S/c28-23(15-25-12-17-8-18(13-25)10-19(9-17)14-25)26-16-24(29)27-20-4-3-7-22(11-20)32(30,31)21-5-1-2-6-21/h3-4,7,11,17-19,21H,1-2,5-6,8-10,12-16H2,(H,26,28)(H,27,29)
InChIKeyOITUDRNUJNUCTC-UHFFFAOYSA-N
XLogP4.06
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.62
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide
CID 9341253
2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide
CID 17486752
2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4810691
2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide
CID 39209795
2-(1-adamantyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]acetamide
CID 35808688
N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide
CID 55612776
3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide
CID 55612715
N-(3-cyclopentylsulfonylphenyl)thiophene-2-carboxamide
CID 39209914
N-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 4826830
N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 42123413
N-(3-cyclopentylsulfonylphenyl)thiophene-3-carboxamide
CID 39208667
2-(1-adamantyl)-N-(3-ethylphenyl)acetamide
CID 7935228

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide (CID 55636206) is 2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide?
The InChIKey is OITUDRNUJNUCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4S/c28-23(15-25-12-17-8-18(13-25)10-19(9-17)14-25)26-16-24(29)27-20-4-3-7-22(11-20)32(30,31)21-5-1-2-6-21/h3-4,7,11,17-19,21H,1-2,5-6,8-10,12-16H2,(H,26,28)(H,27,29).
What are the key properties of 2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide has a molecular weight of 458.62 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-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 55636206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).