(2R)-N-(1-adamantylmethyl)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanamide

C22H30Cl2N2O3S — CID 26918130

IUPAC(2R)-N-(1-adamantylmethyl)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30Cl2N2O3S/c1-13(2)19(26-30(28,29)20-17(23)4-3-5-18(20)24)21(27)25-12-22-9-14-6-15(10-22)8-16(7-14)11-22/h3-5,13-16,19,26H,6-12H2,1-2H3,(H,25,27)/t14?,15?,16?,19-,22?/m1/s1
InChIKeyFHAAOJKAKQXULS-FRXJQHJJSA-N
MW473.47 g/mol
LogP4.63
Rot. Bonds7

About (2R)-N-(1-adamantylmethyl)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanamide

(2R)-N-(1-adamantylmethyl)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 26918130) has the molecular formula C22H30Cl2N2O3S and a molecular weight of 473.47 g/mol. Its IUPAC name is (2R)-N-(1-adamantylmethyl)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-(1-adamantylmethyl)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanamide
PubChem CID26918130
Molecular FormulaC22H30Cl2N2O3S
Molecular Weight473.47 g/mol
Exact Mass472.14
IUPAC Name(2R)-N-(1-adamantylmethyl)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30Cl2N2O3S/c1-13(2)19(26-30(28,29)20-17(23)4-3-5-18(20)24)21(27)25-12-22-9-14-6-15(10-22)8-16(7-14)11-22/h3-5,13-16,19,26H,6-12H2,1-2H3,(H,25,27)/t14?,15?,16?,19-,22?/m1/s1
InChIKeyFHAAOJKAKQXULS-FRXJQHJJSA-N
XLogP4.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173816
N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26866749
(2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 120782373
N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide
CID 24891141
N-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110013927
(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 27797220
(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate
CID 6922951
N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide
CID 84873517
2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide
CID 8934558
(2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide
CID 103929652
(2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide
CID 8923558
(2S)-2-[(2-chlorophenyl)sulfonylamino]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348931

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-adamantylmethyl)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of (2R)-N-(1-adamantylmethyl)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanamide (CID 26918130) is (2R)-N-(1-adamantylmethyl)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for (2R)-N-(1-adamantylmethyl)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for (2R)-N-(1-adamantylmethyl)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanamide is CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R)-N-(1-adamantylmethyl)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is FHAAOJKAKQXULS-FRXJQHJJSA-N. The full InChI is InChI=1S/C22H30Cl2N2O3S/c1-13(2)19(26-30(28,29)20-17(23)4-3-5-18(20)24)21(27)25-12-22-9-14-6-15(10-22)8-16(7-14)11-22/h3-5,13-16,19,26H,6-12H2,1-2H3,(H,25,27)/t14?,15?,16?,19-,22?/m1/s1.
What are the key properties of (2R)-N-(1-adamantylmethyl)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanamide?
(2R)-N-(1-adamantylmethyl)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 473.47 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-adamantylmethyl)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 26918130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).