4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)adamantane-1-carboxamide

C23H32ClN3O5S — CID 71247006

IUPAC4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)adamantane-1-carboxamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1Cl)C(=O)NC1C2CC3CC1CC(C(=O)NCCO)(C3)C2
InChIInChI=1S/C23H32ClN3O5S/c1-22(2,27-33(31,32)18-6-4-3-5-17(18)24)20(29)26-19-15-9-14-10-16(19)13-23(11-14,12-15)21(30)25-7-8-28/h3-6,14-16,19,27-28H,7-13H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyABVSKSASJLFQGT-UHFFFAOYSA-N
MW498.05 g/mol
LogP1.82
Rot. Bonds8

About 4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)adamantane-1-carboxamide

4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)adamantane-1-carboxamide (PubChem CID 71247006) has the molecular formula C23H32ClN3O5S and a molecular weight of 498.05 g/mol. Its IUPAC name is 4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)adamantane-1-carboxamide
PubChem CID71247006
Molecular FormulaC23H32ClN3O5S
Molecular Weight498.05 g/mol
Exact Mass497.18
IUPAC Name4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)adamantane-1-carboxamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1Cl)C(=O)NC1C2CC3CC1CC(C(=O)NCCO)(C3)C2
InChIInChI=1S/C23H32ClN3O5S/c1-22(2,27-33(31,32)18-6-4-3-5-17(18)24)20(29)26-19-15-9-14-10-16(19)13-23(11-14,12-15)21(30)25-7-8-28/h3-6,14-16,19,27-28H,7-13H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyABVSKSASJLFQGT-UHFFFAOYSA-N
XLogP1.82
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.05
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N,N-diethyladamantane-1-carboxamide
CID 71247102
N-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide
CID 71246706
4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 118035384
4-[3-[(2-chlorophenyl)sulfonylamino]-3-methyl-2-oxobutyl]-N-propan-2-yladamantane-1-carboxamide
CID 157469314
N-(5-carbamimidoyl-2-adamantyl)-2-[(2-fluorophenyl)sulfonylamino]-2-methylpropanamide
CID 118035297
4-[[2-[(3-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 71511231
4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide
CID 71248863
4-[[2-[(4-hydroxyphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 122187902
4-[[3-[(3-chloro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanoyl]amino]adamantane-1-carboxamide
CID 118035002
4-[[1-[(2-chlorophenyl)sulfonyl-methylamino]cyclobutanecarbonyl]amino]-N-cyclohexyladamantane-1-carboxamide
CID 71246342
3-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methyl-N-(5-methylsulfonyl-2-adamantyl)butanamide
CID 54755941
4-[[3-methyl-3-[(2-methylphenyl)sulfonylamino]butanoyl]amino]adamantane-1-carboxamide
CID 54756171

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)adamantane-1-carboxamide?
The IUPAC name of 4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)adamantane-1-carboxamide (CID 71247006) is 4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)adamantane-1-carboxamide.
What is the SMILES notation for 4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)adamantane-1-carboxamide?
The canonical SMILES for 4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)adamantane-1-carboxamide is CC(C)(NS(=O)(=O)c1ccccc1Cl)C(=O)NC1C2CC3CC1CC(C(=O)NCCO)(C3)C2.
What is the InChIKey of 4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)adamantane-1-carboxamide?
The InChIKey is ABVSKSASJLFQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O5S/c1-22(2,27-33(31,32)18-6-4-3-5-17(18)24)20(29)26-19-15-9-14-10-16(19)13-23(11-14,12-15)21(30)25-7-8-28/h3-6,14-16,19,27-28H,7-13H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)adamantane-1-carboxamide?
4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)adamantane-1-carboxamide has a molecular weight of 498.05 g/mol, XLogP of 1.82, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)adamantane-1-carboxamide is sourced from PubChem (CID 71247006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).