N-(2-adamantyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpropanamide

C20H26Cl2N2O3S — CID 71246401

IUPACN-(2-adamantyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H26Cl2N2O3S/c1-20(2,24-28(26,27)15-3-4-16(21)17(22)10-15)19(25)23-18-13-6-11-5-12(8-13)9-14(18)7-11/h3-4,10-14,18,24H,5-9H2,1-2H3,(H,23,25)
InChIKeyOAEGCACKOXFKEP-UHFFFAOYSA-N
MW445.41 g/mol
LogP3.99
Rot. Bonds5

About N-(2-adamantyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpropanamide

N-(2-adamantyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpropanamide (PubChem CID 71246401) has the molecular formula C20H26Cl2N2O3S and a molecular weight of 445.41 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpropanamide
PubChem CID71246401
Molecular FormulaC20H26Cl2N2O3S
Molecular Weight445.41 g/mol
Exact Mass444.10
IUPAC NameN-(2-adamantyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H26Cl2N2O3S/c1-20(2,24-28(26,27)15-3-4-16(21)17(22)10-15)19(25)23-18-13-6-11-5-12(8-13)9-14(18)7-11/h3-4,10-14,18,24H,5-9H2,1-2H3,(H,23,25)
InChIKeyOAEGCACKOXFKEP-UHFFFAOYSA-N
XLogP3.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide
CID 71246706
N-(2-adamantyl)-2-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 71246911
N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 71246516
4-[[2-[(3-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 71511231
4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 118035384
4-[[2-[(4-hydroxyphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 122187902
N-(5-hydroxy-2-adamantyl)-2-methyl-2-[(4-nitrophenyl)sulfonylamino]propanamide
CID 71247049
3-[(3,4-dichlorophenyl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65265968
4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N,N-diethyladamantane-1-carboxamide
CID 71247102
N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide
CID 8990556
4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide
CID 71248863
N-(2-adamantyl)-2-methyl-2-[1-(2-nitrophenyl)ethylsulfonylamino]propanamide
CID 90294219

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpropanamide?
The IUPAC name of N-(2-adamantyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpropanamide (CID 71246401) is N-(2-adamantyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpropanamide.
What is the SMILES notation for N-(2-adamantyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpropanamide?
The canonical SMILES for N-(2-adamantyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpropanamide is CC(C)(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpropanamide?
The InChIKey is OAEGCACKOXFKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2O3S/c1-20(2,24-28(26,27)15-3-4-16(21)17(22)10-15)19(25)23-18-13-6-11-5-12(8-13)9-14(18)7-11/h3-4,10-14,18,24H,5-9H2,1-2H3,(H,23,25).
What are the key properties of N-(2-adamantyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpropanamide?
N-(2-adamantyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpropanamide has a molecular weight of 445.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpropanamide is sourced from PubChem (CID 71246401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).