N-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide

C20H25N3O3S — CID 24664354

IUPACN-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1C2CC3CC(C2)CC1C3)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H25N3O3S/c1-23(27(25,26)18-4-2-13(11-21)3-5-18)12-19(24)22-20-16-7-14-6-15(9-16)10-17(20)8-14/h2-5,14-17,20H,6-10,12H2,1H3,(H,22,24)
InChIKeyOHKZYNHJJUCIBT-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.12
Rot. Bonds5

About N-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide

N-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide (PubChem CID 24664354) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
PubChem CID24664354
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1C2CC3CC(C2)CC1C3)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H25N3O3S/c1-23(27(25,26)18-4-2-13(11-21)3-5-18)12-19(24)22-20-16-7-14-6-15(9-16)10-17(20)8-14/h2-5,14-17,20H,6-10,12H2,1H3,(H,22,24)
InChIKeyOHKZYNHJJUCIBT-UHFFFAOYSA-N
XLogP2.12
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-adamantyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 78798978
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 31763987
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31807936
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 46423833
cyclohexyl 2-[(4-cyanophenyl)sulfonyl-methylamino]acetate
CID 24662229
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 26941957
N-[2-(azepan-1-yl)-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide
CID 31700565
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide
CID 32925814
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 24664234
N-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide
CID 99697067
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 24664138
N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide
CID 24665455

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide (CID 24664354) is N-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)NC1C2CC3CC(C2)CC1C3)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is OHKZYNHJJUCIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-23(27(25,26)18-4-2-13(11-21)3-5-18)12-19(24)22-20-16-7-14-6-15(9-16)10-17(20)8-14/h2-5,14-17,20H,6-10,12H2,1H3,(H,22,24).
What are the key properties of N-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide?
N-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 24664354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).