N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide

C20H27N3O5S — CID 18159466

IUPACN-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27N3O5S/c1-28-16-2-4-17(5-3-16)29(26,27)21-12-18(24)22-23-19(25)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15,21H,6-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyYCKWINTZIBKZFY-UHFFFAOYSA-N
MW421.52 g/mol
LogP1.34
Rot. Bonds6

About N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide

N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide (PubChem CID 18159466) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
PubChem CID18159466
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27N3O5S/c1-28-16-2-4-17(5-3-16)29(26,27)21-12-18(24)22-23-19(25)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15,21H,6-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyYCKWINTZIBKZFY-UHFFFAOYSA-N
XLogP1.34
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 31835828
N-[2-[2-[1-(4-methoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-4-nitrobenzenesulfonamide
CID 6997955
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 18158719
N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 24636720
N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide
CID 26792762
N-[(4-methoxyphenyl)methyl]-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992797
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]adamantane-1-carboxamide
CID 29195731
N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 24638338
1-(1-adamantyl)-3-(4-methoxyphenyl)propan-1-one
CID 135008863
N-(4-methylphenyl)sulfonyladamantane-1-carboxamide
CID 159904270
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide (CID 18159466) is N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide?
The InChIKey is YCKWINTZIBKZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-28-16-2-4-17(5-3-16)29(26,27)21-12-18(24)22-23-19(25)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15,21H,6-12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide?
N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 18159466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).