2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide

C24H35N3O4S — CID 55948108

IUPAC2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide
SMILESCC(NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C24H35N3O4S/c1-16(20-4-6-21(7-5-20)32(30,31)27(2)3)26-23(29)15-25-22(28)14-24-11-17-8-18(12-24)10-19(9-17)13-24/h4-7,16-19H,8-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyUBVFKQQSWAKHEX-UHFFFAOYSA-N
MW461.63 g/mol
LogP2.84
Rot. Bonds8

About 2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide (PubChem CID 55948108) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide
PubChem CID55948108
Molecular FormulaC24H35N3O4S
Molecular Weight461.63 g/mol
Exact Mass461.23
IUPAC Name2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide
SMILESCC(NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C24H35N3O4S/c1-16(20-4-6-21(7-5-20)32(30,31)27(2)3)26-23(29)15-25-22(28)14-24-11-17-8-18(12-24)10-19(9-17)13-24/h4-7,16-19H,8-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyUBVFKQQSWAKHEX-UHFFFAOYSA-N
XLogP2.84
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 7303372
2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide
CID 26423380
N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 55948510
(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
CID 119369903
3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119741190
2-(1-adamantyl)-N-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]acetamide
CID 9221124
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 119299114
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide
CID 55893382
N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 42123413
7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide
CID 119741155
N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18111449
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide
CID 120589757

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide (CID 55948108) is 2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide is CC(NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide?
The InChIKey is UBVFKQQSWAKHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4S/c1-16(20-4-6-21(7-5-20)32(30,31)27(2)3)26-23(29)15-25-22(28)14-24-11-17-8-18(12-24)10-19(9-17)13-24/h4-7,16-19H,8-15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide has a molecular weight of 461.63 g/mol, XLogP of 2.84, 8 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-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 55948108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).