N-(1-adamantyl)-2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide

C24H26Cl2N2O3S — CID 2876685

IUPACN-(1-adamantyl)-2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide
SMILESO=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H26Cl2N2O3S/c25-21-7-6-19(11-22(21)26)28(32(30,31)20-4-2-1-3-5-20)15-23(29)27-24-12-16-8-17(13-24)10-18(9-16)14-24/h1-7,11,16-18H,8-10,12-15H2,(H,27,29)
InChIKeyPDFPIPPFNDGBIV-UHFFFAOYSA-N
MW493.46 g/mol
LogP5.27
Rot. Bonds6

About N-(1-adamantyl)-2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide

N-(1-adamantyl)-2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide (PubChem CID 2876685) has the molecular formula C24H26Cl2N2O3S and a molecular weight of 493.46 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide
PubChem CID2876685
Molecular FormulaC24H26Cl2N2O3S
Molecular Weight493.46 g/mol
Exact Mass492.10
IUPAC NameN-(1-adamantyl)-2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide
SMILESO=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H26Cl2N2O3S/c25-21-7-6-19(11-22(21)26)28(32(30,31)20-4-2-1-3-5-20)15-23(29)27-24-12-16-8-17(13-24)10-18(9-16)14-24/h1-7,11,16-18H,8-10,12-15H2,(H,27,29)
InChIKeyPDFPIPPFNDGBIV-UHFFFAOYSA-N
XLogP5.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98167306
4-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzoic acid
CID 1267410
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide
CID 1357141
2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide
CID 126032099
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(propan-2-ylideneamino)acetamide
CID 28588551
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43893418
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide
CID 126267956
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 51345003
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(2,5-dimethylphenyl)acetamide
CID 2889396
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 43879032
N-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3920584
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509500

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide (CID 2876685) is N-(1-adamantyl)-2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide is O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide?
The InChIKey is PDFPIPPFNDGBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N2O3S/c25-21-7-6-19(11-22(21)26)28(32(30,31)20-4-2-1-3-5-20)15-23(29)27-24-12-16-8-17(13-24)10-18(9-16)14-24/h1-7,11,16-18H,8-10,12-15H2,(H,27,29).
What are the key properties of N-(1-adamantyl)-2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide?
N-(1-adamantyl)-2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide has a molecular weight of 493.46 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide is sourced from PubChem (CID 2876685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).