N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide

C24H35N3O4S — CID 24790968

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H35N3O4S/c1-31-22-5-3-2-4-21(22)26-7-9-27(10-8-26)32(29,30)11-6-25-23(28)24-15-18-12-19(16-24)14-20(13-18)17-24/h2-5,18-20H,6-17H2,1H3,(H,25,28)
InChIKeyOGWUMRAPXVULNH-UHFFFAOYSA-N
MW461.63 g/mol
LogP2.48
Rot. Bonds7

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide (PubChem CID 24790968) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide
PubChem CID24790968
Molecular FormulaC24H35N3O4S
Molecular Weight461.63 g/mol
Exact Mass461.23
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H35N3O4S/c1-31-22-5-3-2-4-21(22)26-7-9-27(10-8-26)32(29,30)11-6-25-23(28)24-15-18-12-19(16-24)14-20(13-18)17-24/h2-5,18-20H,6-17H2,1H3,(H,25,28)
InChIKeyOGWUMRAPXVULNH-UHFFFAOYSA-N
XLogP2.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]adamantane-1-carboxamide
CID 25285304
5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
CID 22578905
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 22578896
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide
CID 16825869
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide
CID 22578894
1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea
CID 26534403
1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
CID 669263
(2S)-1-(adamantane-1-carbonyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 25266111
1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970253
1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
CID 3717888
N-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
CID 71040307
N-[[4-(2-methoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
CID 4188215

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide (CID 24790968) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide is COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide?
The InChIKey is OGWUMRAPXVULNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4S/c1-31-22-5-3-2-4-21(22)26-7-9-27(10-8-26)32(29,30)11-6-25-23(28)24-15-18-12-19(16-24)14-20(13-18)17-24/h2-5,18-20H,6-17H2,1H3,(H,25,28).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide has a molecular weight of 461.63 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide is sourced from PubChem (CID 24790968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).