N-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide

C19H24Cl2N2O3S — CID 4840253

IUPACN-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24Cl2N2O3S/c20-16-2-1-15(6-17(16)21)27(25,26)23-10-18(24)22-11-19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,12-14,23H,3-5,7-11H2,(H,22,24)
InChIKeyXLMZFVBCDFOROE-UHFFFAOYSA-N
MW431.39 g/mol
LogP3.60
Rot. Bonds6

About N-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide

N-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide (PubChem CID 4840253) has the molecular formula C19H24Cl2N2O3S and a molecular weight of 431.39 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide
PubChem CID4840253
Molecular FormulaC19H24Cl2N2O3S
Molecular Weight431.39 g/mol
Exact Mass430.09
IUPAC NameN-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24Cl2N2O3S/c20-16-2-1-15(6-17(16)21)27(25,26)23-10-18(24)22-11-19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,12-14,23H,3-5,7-11H2,(H,22,24)
InChIKeyXLMZFVBCDFOROE-UHFFFAOYSA-N
XLogP3.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 112991491
N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide
CID 19575240
N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide
CID 54571729
2-(1-adamantyl)-N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide
CID 8616511
4-(1-adamantylmethylsulfamoyl)benzamide
CID 86911830
N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 7921336
3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65117612
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 18277091
3-(1-adamantylmethylcarbamoyl)-4-chlorobenzoic acid
CID 18381486
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide
CID 112991971
3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 60894571
N-(3-cyanophenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide
CID 113001969

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide (CID 4840253) is N-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide?
The InChIKey is XLMZFVBCDFOROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O3S/c20-16-2-1-15(6-17(16)21)27(25,26)23-10-18(24)22-11-19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,12-14,23H,3-5,7-11H2,(H,22,24).
What are the key properties of N-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide?
N-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide has a molecular weight of 431.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 4840253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).