N-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C26H32N2O4S — CID 3920584

IUPACN-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H32N2O4S/c1-18-3-9-24(10-4-18)33(30,31)28(22-5-7-23(32-2)8-6-22)17-25(29)27-26-14-19-11-20(15-26)13-21(12-19)16-26/h3-10,19-21H,11-17H2,1-2H3,(H,27,29)
InChIKeyBIVSQLWVFLWGHN-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.28
Rot. Bonds7

About N-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 3920584) has the molecular formula C26H32N2O4S and a molecular weight of 468.62 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID3920584
Molecular FormulaC26H32N2O4S
Molecular Weight468.62 g/mol
Exact Mass468.21
IUPAC NameN-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H32N2O4S/c1-18-3-9-24(10-4-18)33(30,31)28(22-5-7-23(32-2)8-6-22)17-25(29)27-26-14-19-11-20(15-26)13-21(12-19)16-26/h3-10,19-21H,11-17H2,1-2H3,(H,27,29)
InChIKeyBIVSQLWVFLWGHN-UHFFFAOYSA-N
XLogP4.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-bicyclo[2.2.1]heptanyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 1278213
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426
N-[4-(1-adamantyl)phenyl]-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126035524
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide
CID 2286489
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30214602
N-(2,3-dimethylphenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 23883732
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 999545
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171501
4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 24607001
N-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 53279263
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 43897063
N-(2,5-dichlorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2206870

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 3920584) is N-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccc(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is BIVSQLWVFLWGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4S/c1-18-3-9-24(10-4-18)33(30,31)28(22-5-7-23(32-2)8-6-22)17-25(29)27-26-14-19-11-20(15-26)13-21(12-19)16-26/h3-10,19-21H,11-17H2,1-2H3,(H,27,29).
What are the key properties of N-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 468.62 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 3920584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).